Many imitation learning (IL) algorithms employ inverse reinforcement learning (IRL) to infer the intrinsic reward function that an expert is implicitly optimizing for based on their demonstrated behaviors. However, in practice, IRL-based IL can fail to accomplish the underlying task due to a misalignment between the inferred reward and the objective of the task. In this paper, we address the susceptibility of IL to such misalignment by introducing a semi-supervised reward design paradigm called Protagonist Antagonist Guided Adversarial Reward (PAGAR). PAGAR-based IL trains a policy to perform well under mixed reward functions instead of a single reward function as in IRL-based IL. We identify the theoretical conditions under which PAGAR-based IL can avoid the task failures caused by reward misalignment. We also present a practical on-and-off policy approach to implementing PAGAR-based IL. Experimental results show that our algorithm outperforms standard IL baselines in complex tasks and challenging transfer settings.  ( 2 min )

Purpose: To develop and evaluate a semi-supervised learning model for intracranial hemorrhage detection and segmentation on an out-of-distribution head CT evaluation set. Materials and Methods: This retrospective study used semi-supervised learning to bootstrap performance. An initial "teacher" deep learning model was trained on 457 pixel-labeled head CT scans collected from one US institution from 2010-2017 and used to generate pseudo-labels on a separate unlabeled corpus of 25000 examinations from the RSNA and ASNR. A second "student" model was trained on this combined pixel- and pseudo-labeled dataset. Hyperparameter tuning was performed on a validation set of 93 scans. Testing for both classification (n=481 examinations) and segmentation (n=23 examinations, or 529 images) was performed on CQ500, a dataset of 481 scans performed in India, to evaluate out-of-distribution generalizability. The semi-supervised model was compared with a baseline model trained on only labeled data using area under the receiver operating characteristic curve (AUC), Dice similarity coefficient (DSC), and average precision (AP) metrics. Results: The semi-supervised model achieved statistically significantly higher examination AUC on CQ500 compared with the baseline (0.939 [0.938, 0.940] vs. 0.907 [0.906, 0.908]) (p=0.009). It also achieved a higher DSC (0.829 [0.825, 0.833] vs. 0.809 [0.803, 0.812]) (p=0.012) and Pixel AP (0.848 [0.843, 0.853]) vs. 0.828 [0.817, 0.828]) compared to the baseline. Conclusion: The addition of unlabeled data in a semi-supervised learning framework demonstrates stronger generalizability potential for intracranial hemorrhage detection and segmentation compared with a supervised baseline.  ( 3 min )

Stochastic gradient descent (SGD) is perhaps the most prevalent optimization method in modern machine learning. Contrary to the empirical practice of sampling from the datasets without replacement and with (possible) reshuffling at each epoch, the theoretical counterpart of SGD usually relies on the assumption of sampling with replacement. It is only very recently that SGD with sampling without replacement -- shuffled SGD -- has been analyzed. For convex finite sum problems with $n$ components and under the $L$-smoothness assumption for each component function, there are matching upper and lower bounds, under sufficiently small -- $\mathcal{O}(\frac{1}{nL})$ -- step sizes. Yet those bounds appear too pessimistic -- in fact, the predicted performance is generally no better than for full gradient descent -- and do not agree with the empirical observations. In this work, to narrow the gap between the theory and practice of shuffled SGD, we sharpen the focus from general finite sum problems to empirical risk minimization with linear predictors. This allows us to take a primal-dual perspective and interpret shuffled SGD as a primal-dual method with cyclic coordinate updates on the dual side. Leveraging this perspective, we prove fine-grained complexity bounds that depend on the data matrix and are never worse than what is predicted by the existing bounds. Notably, our bounds predict much faster convergence than the existing analyses -- by a factor of the order of $\sqrt{n}$ in some cases. We empirically demonstrate that on common machine learning datasets our bounds are indeed much tighter. We further extend our analysis to nonsmooth convex problems and more general finite-sum problems, with similar improvements.  ( 3 min )

Collecting an over-the-air wireless communications training dataset for deep learning-based communication tasks is relatively simple. However, labeling the dataset requires expert involvement and domain knowledge, may involve private intellectual properties, and is often computationally and financially expensive. Active learning is an emerging area of research in machine learning that aims to reduce the labeling overhead without accuracy degradation. Active learning algorithms identify the most critical and informative samples in an unlabeled dataset and label only those samples, instead of the complete set. In this paper, we introduce active learning for deep learning applications in wireless communications, and present its different categories. We present a case study of deep learning-based mmWave beam selection, where labeling is performed by a compute-intensive algorithm based on exhaustive search. We evaluate the performance of different active learning algorithms on a publicly available multi-modal dataset with different modalities including image and LiDAR. Our results show that using an active learning algorithm for class-imbalanced datasets can reduce labeling overhead by up to 50% for this dataset while maintaining the same accuracy as classical training.  ( 2 min )

In this paper, we introduce DiarizationLM, a framework to leverage large language models (LLM) to post-process the outputs from a speaker diarization system. Various goals can be achieved with the proposed framework, such as improving the readability of the diarized transcript, or reducing the word diarization error rate (WDER). In this framework, the outputs of the automatic speech recognition (ASR) and speaker diarization systems are represented as a compact textual format, which is included in the prompt to an optionally finetuned LLM. The outputs of the LLM can be used as the refined diarization results with the desired enhancement. As a post-processing step, this framework can be easily applied to any off-the-shelf ASR and speaker diarization systems without retraining existing components. Our experiments show that a finetuned PaLM 2-S model can reduce the WDER by rel. 55.5% on the Fisher telephone conversation dataset, and rel. 44.9% on the Callhome English dataset.  ( 2 min )

This paper presents a new method for combining (or aggregating or ensembling) multivariate probabilistic forecasts, considering dependencies between quantiles and marginals through a smoothing procedure that allows for online learning. We discuss two smoothing methods: dimensionality reduction using Basis matrices and penalized smoothing. The new online learning algorithm generalizes the standard CRPS learning framework into multivariate dimensions. It is based on Bernstein Online Aggregation (BOA) and yields optimal asymptotic learning properties. The procedure uses horizontal aggregation, i.e., aggregation across quantiles. We provide an in-depth discussion on possible extensions of the algorithm and several nested cases related to the existing literature on online forecast combination. We apply the proposed methodology to forecasting day-ahead electricity prices, which are 24-dimensional distributional forecasts. The proposed method yields significant improvements over uniform combination in terms of continuous ranked probability score (CRPS). We discuss the temporal evolution of the weights and hyperparameters and present the results of reduced versions of the preferred model. A fast C++ implementation of the proposed algorithm is provided in the open-source R-Package profoc on CRAN.  ( 3 min )

Self-supervised learning (SSL) has shown remarkable performance in computer vision tasks when trained offline. However, in a Continual Learning (CL) scenario where new data is introduced progressively, models still suffer from catastrophic forgetting. Retraining a model from scratch to adapt to newly generated data is time-consuming and inefficient. Previous approaches suggested re-purposing self-supervised objectives with knowledge distillation to mitigate forgetting across tasks, assuming that labels from all tasks are available during fine-tuning. In this paper, we generalize self-supervised continual learning in a practical setting where available labels can be leveraged in any step of the SSL process. With an increasing number of continual tasks, this offers more flexibility in the pre-training and fine-tuning phases. With Kaizen, we introduce a training architecture that is able to mitigate catastrophic forgetting for both the feature extractor and classifier with a carefully designed loss function. By using a set of comprehensive evaluation metrics reflecting different aspects of continual learning, we demonstrated that Kaizen significantly outperforms previous SSL models in competitive vision benchmarks, with up to 16.5% accuracy improvement on split CIFAR-100. Kaizen is able to balance the trade-off between knowledge retention and learning from new data with an end-to-end model, paving the way for practical deployment of continual learning systems.  ( 3 min )

WiFi-enabled Internet-of-Things (IoT) devices are evolving from mere communication devices to sensing instruments, leveraging Channel State Information (CSI) extraction capabilities. Nevertheless, resource-constrained IoT devices and the intricacies of deep neural networks necessitate transmitting CSI to cloud servers for sensing. Although feasible, this leads to considerable communication overhead. In this context, this paper develops a novel Real-time Sensing and Compression Network (RSCNet) which enables sensing with compressed CSI; thereby reducing the communication overheads. RSCNet facilitates optimization across CSI windows composed of a few CSI frames. Once transmitted to cloud servers, it employs Long Short-Term Memory (LSTM) units to harness data from prior windows, thus bolstering both the sensing accuracy and CSI reconstruction. RSCNet adeptly balances the trade-off between CSI compression and sensing precision, thus streamlining real-time cloud-based WiFi sensing with reduced communication costs. Numerical findings demonstrate the gains of RSCNet over the existing benchmarks like SenseFi, showcasing a sensing accuracy of 97.4% with minimal CSI reconstruction error. Numerical results also show a computational analysis of the proposed RSCNet as a function of the number of CSI frames.  ( 2 min )

Weakly supervised learning with noisy data has drawn attention in the medical imaging community due to the sparsity of high-quality disease labels. However, little is known about the limitations of such weakly supervised learning and the effect of these constraints on disease classification performance. In this paper, we test the effects of such weak supervision by examining model tolerance for three conditions. First, we examined model tolerance for noisy data by incrementally increasing error in the labels within the training data. Second, we assessed the impact of dataset size by varying the amount of training data. Third, we compared performance differences between binary and multi-label classification. Results demonstrated that the model could endure up to 10% added label error before experiencing a decline in disease classification performance. Disease classification performance steadily rose as the amount of training data was increased for all disease classes, before experiencing a plateau in performance at 75% of training data. Last, the binary model outperformed the multilabel model in every disease category. However, such interpretations may be misleading, as the binary model was heavily influenced by co-occurring diseases and may not have learned the specific features of the disease in the image. In conclusion, this study may help the medical imaging community understand the benefits and risks of weak supervision with noisy labels. Such studies demonstrate the need to build diverse, large-scale datasets and to develop explainable and responsible AI.  ( 3 min )

In recent years, deep learning has made remarkable progress in a wide range of domains, with a particularly notable impact on natural language processing tasks. One of the challenges associated with training deep neural networks in the context of LLMs is the need for large amounts of computational resources and time. To mitigate this, network growing algorithms offer potential cost savings, but their underlying mechanisms are poorly understood. We present two notable contributions in this paper. First, we present Deep Fusion, an efficient approach to network training that leverages pre-trained initializations of smaller networks. Second, we propose a theoretical framework using backward error analysis to illustrate the dynamics of mid-training network growth. Our experiments show how Deep Fusion is a practical and effective approach that not only accelerates the training process but also reduces computational requirements, maintaining or surpassing traditional training methods' performance in various NLP tasks and T5 model sizes. Finally, we validate our theoretical framework, which guides the optimal use of Deep Fusion, showing that with carefully optimized training dynamics, it significantly reduces both training time and resource consumption.  ( 2 min )

Message-passing Graph Neural Networks (GNNs), which collect information from adjacent nodes achieve dismal performance on heterophilic graphs. Various schemes have been proposed to solve this problem, and propagating signed information on heterophilic edges has gained great attention. Recently, some works provided theoretical analysis that signed propagation always leads to performance improvement under a binary class scenario. However, we notice that prior analyses do not align well with multi-class benchmark datasets. This paper provides a new understanding of signed propagation for multi-class scenarios and points out two drawbacks in terms of message-passing and parameter update: (1) Message-passing: if two nodes belong to different classes but have a high similarity, signed propagation can decrease the separability. (2) Parameter update: the prediction uncertainty (e.g., conflict evidence) of signed neighbors increases during training, which can impede the stability of the algorithm. Based on the observation, we introduce two novel strategies for improving signed propagation under multi-class graphs. The proposed scheme combines calibration to secure robustness while reducing uncertainty. We show the efficacy of our theorem through extensive experiments on six benchmark graph datasets.  ( 2 min )

We study how to make decisions that minimize Bayesian regret in offline linear bandits. Prior work suggests that one must take actions with maximum lower confidence bound (LCB) on their reward. We argue that reliance on LCB is inherently flawed in this setting and propose a new algorithm that directly minimizes upper bounds on the Bayesian regret using efficient conic optimization solvers. Our bounds build heavily on new connections to monetary risk measures. Proving a matching lower bound, we show that our upper bounds are tight, and by minimizing them we are guaranteed to outperform the LCB approach. Our numerical results on synthetic domains confirm that our approach is superior to maximizing LCB.  ( 2 min )

Federated Learning (FL) has become an established technique to facilitate privacy-preserving collaborative training across a multitude of clients. However, new approaches to FL often discuss their contributions involving small deep-learning models only and focus on training full models on clients. In the wake of Foundation Models (FM), the reality is different for many deep learning applications. Typically, FMs have already been pre-trained across a wide variety of tasks and can be fine-tuned to specific downstream tasks over significantly smaller datasets than required for full model training. However, access to such datasets is often challenging. By its design, FL can help to open data silos. With this survey, we introduce a novel taxonomy focused on computational and communication efficiency, the vital elements to make use of FMs in FL systems. We discuss the benefits and drawbacks of parameter-efficient fine-tuning (PEFT) for FL applications, elaborate on the readiness of FL frameworks to work with FMs and provide future research opportunities on how to evaluate generative models in FL as well as the interplay of privacy and PEFT.  ( 2 min )

Recent architectural developments have enabled recurrent neural networks (RNNs) to reach and even surpass the performance of Transformers on certain sequence modeling tasks. These modern RNNs feature a prominent design pattern: linear recurrent layers interconnected by feedforward paths with multiplicative gating. Here, we show how RNNs equipped with these two design elements can exactly implement (linear) self-attention, the main building block of Transformers. By reverse-engineering a set of trained RNNs, we find that gradient descent in practice discovers our construction. In particular, we examine RNNs trained to solve simple in-context learning tasks on which Transformers are known to excel and find that gradient descent instills in our RNNs the same attention-based in-context learning algorithm used by Transformers. Our findings highlight the importance of multiplicative interactions in neural networks and suggest that certain RNNs might be unexpectedly implementing attention under the hood.  ( 2 min )

We focus on constrained, $L$-smooth, nonconvex-nonconcave min-max problems either satisfying $\rho$-cohypomonotonicity or admitting a solution to the $\rho$-weakly Minty Variational Inequality (MVI), where larger values of the parameter $\rho>0$ correspond to a greater degree of nonconvexity. These problem classes include examples in two player reinforcement learning, interaction dominant min-max problems, and certain synthetic test problems on which classical min-max algorithms fail. It has been conjectured that first-order methods can tolerate value of $\rho$ no larger than $\frac{1}{L}$, but existing results in the literature have stagnated at the tighter requirement $\rho < \frac{1}{2L}$. With a simple argument, we obtain optimal or best-known complexity guarantees with cohypomonotonicity or weak MVI conditions for $\rho < \frac{1}{L}$. The algorithms we analyze are inexact variants of Halpern and Krasnosel'ski\u{\i}-Mann (KM) iterations. We also provide algorithms and complexity guarantees in the stochastic case with the same range on $\rho$. Our main insight for the improvements in the convergence analyses is to harness the recently proposed "conic nonexpansiveness" property of operators. As byproducts, we provide a refined analysis for inexact Halpern iteration and propose a stochastic KM iteration with a multilevel Monte Carlo estimator.  ( 2 min )

Algorithm unrolling has emerged as a learning-based optimization paradigm that unfolds truncated iterative algorithms in trainable neural-network optimizers. We introduce Stochastic UnRolled Federated learning (SURF), a method that expands algorithm unrolling to federated learning in order to expedite its convergence. Our proposed method tackles two challenges of this expansion, namely the need to feed whole datasets to the unrolled optimizers to find a descent direction and the decentralized nature of federated learning. We circumvent the former challenge by feeding stochastic mini-batches to each unrolled layer and imposing descent constraints to guarantee its convergence. We address the latter challenge by unfolding the distributed gradient descent (DGD) algorithm in a graph neural network (GNN)-based unrolled architecture, which preserves the decentralized nature of training in federated learning. We theoretically prove that our proposed unrolled optimizer converges to a near-optimal region infinitely often. Through extensive numerical experiments, we also demonstrate the effectiveness of the proposed framework in collaborative training of image classifiers.  ( 2 min )

The proliferation of large AI models trained on uncurated, often sensitive web-scraped data has raised significant privacy concerns. One of the concerns is that adversaries can extract information about the training data using privacy attacks. Unfortunately, the task of removing specific information from the models without sacrificing performance is not straightforward and has proven to be challenging. We propose a rather easy yet effective defense based on backdoor attacks to remove private information such as names and faces of individuals from vision-language models by fine-tuning them for only a few minutes instead of re-training them from scratch. Specifically, through strategic insertion of backdoors into text encoders, we align the embeddings of sensitive phrases with those of neutral terms-"a person" instead of the person's actual name. For image encoders, we map embeddings of individuals to be removed from the model to a universal, anonymous embedding. Our empirical results demonstrate the effectiveness of our backdoor-based defense on CLIP by assessing its performance using a specialized privacy attack for zero-shot classifiers. Our approach provides not only a new "dual-use" perspective on backdoor attacks, but also presents a promising avenue to enhance the privacy of individuals within models trained on uncurated web-scraped data.  ( 2 min )

Multiscale phenomena manifest across various scientific domains, presenting a ubiquitous challenge in accurately and effectively predicting multiscale dynamics in complex systems. In this paper, a novel solving mode is proposed for characterizing multiscale dynamics through a decoupling method. By modelling large-scale dynamics independently and treating small-scale dynamics as a slaved system, a Spectral PINN is developed to approach the small-scale system in an orthogonal basis functional space. The effectiveness of the method is demonstrated through extensive numerical experiments, including one-dimensional Kuramot-Sivashinsky (KS) equation, two- and three-dimensional Navier-Stokes (NS) equations, showcasing its versatility in addressing problems of fluid dynamics. Furthermore, we also delve into the application of the proposed approach to more complex problems, including non-uniform meshes, complex geometries, large-scale data with noise, and high-dimensional small-scale dynamics. The discussions about these scenarios contribute to a comprehensive understanding of the method's capabilities and limitations. This novel decoupling approach simplifies the analysis and prediction of spatiotemporal systems, where large-scale data can be obtained with low computational demands, followed by Spectral PINNs for capturing small-scale dynamics with improved efficiency and accuracy.  ( 2 min )

Recently, we demonstrated success of a time-synchronized state estimator using deep neural networks (DNNs) for real-time unobservable distribution systems. In this letter, we provide analytical bounds on the performance of that state estimator as a function of perturbations in the input measurements. It has already been shown that evaluating performance based on only the test dataset might not effectively indicate a trained DNN's ability to handle input perturbations. As such, we analytically verify robustness and trustworthiness of DNNs to input perturbations by treating them as mixed-integer linear programming (MILP) problems. The ability of batch normalization in addressing the scalability limitations of the MILP formulation is also highlighted. The framework is validated by performing time-synchronized distribution system state estimation for a modified IEEE 34-node system and a real-world large distribution system, both of which are incompletely observed by micro-phasor measurement units.  ( 2 min )

This paper introduces a novel approach to leverage the generalizability capability of Diffusion Models for Source-Free Domain Adaptation (DM-SFDA). Our proposed DM-SFDA method involves fine-tuning a pre-trained text-to-image diffusion model to generate source domain images using features from the target images to guide the diffusion process. Specifically, the pre-trained diffusion model is fine-tuned to generate source samples that minimize entropy and maximize confidence for the pre-trained source model. We then apply established unsupervised domain adaptation techniques to align the generated source images with target domain data. We validate our approach through comprehensive experiments across a range of datasets, including Office-31, Office-Home, and VisDA. The results highlight significant improvements in SFDA performance, showcasing the potential of diffusion models in generating contextually relevant, domain-specific images.  ( 2 min )

Choosing appropriate hyperparameters plays a crucial role in the success of neural networks as hyper-parameters directly control the behavior and performance of the training algorithms. To obtain efficient tuning, Bayesian optimization methods based on Gaussian process (GP) models are widely used. Despite numerous applications of Bayesian optimization in deep learning, the existing methodologies are developed based on a convenient but restrictive assumption that the tuning parameters are independent of each other. However, tuning parameters with conditional dependence are common in practice. In this paper, we focus on two types of them: branching and nested parameters. Nested parameters refer to those tuning parameters that exist only within a particular setting of another tuning parameter, and a parameter within which other parameters are nested is called a branching parameter. To capture the conditional dependence between branching and nested parameters, a unified Bayesian optimization framework is proposed. The sufficient conditions are rigorously derived to guarantee the validity of the kernel function, and the asymptotic convergence of the proposed optimization framework is proven under the continuum-armed-bandit setting. Based on the new GP model, which accounts for the dependent structure among input variables through a new kernel function, higher prediction accuracy and better optimization efficiency are observed in a series of synthetic simulations and real data applications of neural networks. Sensitivity analysis is also performed to provide insights into how changes in hyperparameter values affect prediction accuracy.  ( 2 min )

We propose a novel white-box approach to hyper-parameter optimization. Motivated by recent work establishing a relationship between flat minima and generalization, we first establish a relationship between the strong convexity of the loss and its flatness. Based on this, we seek to find hyper-parameter configurations that improve flatness by minimizing the strong convexity of the loss. By using the structure of the underlying neural network, we derive closed-form equations to approximate the strong convexity parameter, and attempt to find hyper-parameters that minimize it in a randomized fashion. Through experiments on 14 classification datasets, we show that our method achieves strong performance at a fraction of the runtime.  ( 2 min )

We present a theoretical and empirical analysis of the adaptive entry point selection for graph-based approximate nearest neighbor search (ANNS). We introduce novel concepts: $b\textit{-monotonic path}$ and $B\textit{-MSNET}$, which better capture an actual graph in practical algorithms than existing concepts like MSNET. We prove that adaptive entry point selection offers better performance upper bound than the fixed central entry point under more general conditions than previous work. Empirically, we validate the method's effectiveness in accuracy, speed, and memory usage across various datasets, especially in challenging scenarios with out-of-distribution data and hard instances. Our comprehensive study provides deeper insights into optimizing entry points for graph-based ANNS for real-world high-dimensional data applications.  ( 2 min )

Instruction tuning has unlocked powerful capabilities in large language models (LLMs), effectively using combined datasets to develop generalpurpose chatbots. However, real-world applications often require a specialized suite of skills (e.g., reasoning). The challenge lies in identifying the most relevant data from these extensive datasets to effectively develop specific capabilities, a setting we frame as targeted instruction tuning. We propose LESS, an optimizer-aware and practically efficient algorithm to effectively estimate data influences and perform Low-rank gradiEnt Similarity Search for instruction data selection. Crucially, LESS adapts existing influence formulations to work with the Adam optimizer and variable-length instruction data. LESS first constructs a highly reusable and transferable gradient datastore with low-dimensional gradient features and then selects examples based on their similarity to few-shot examples embodying a specific capability. Experiments show that training on a LESS-selected 5% of the data can often outperform training on the full dataset across diverse downstream tasks. Furthermore, the selected data is highly transferable: smaller models can be leveraged to select useful data for larger models and models from different families. Our qualitative analysis shows that our method goes beyond surface form cues to identify data that exemplifies the necessary reasoning skills for the intended downstream application.  ( 2 min )

Graph Neural Networks (GNNs) have received increasing attention due to their ability to learn from graph-structured data. To open the black-box of these deep learning models, post-hoc instance-level explanation methods have been proposed to understand GNN predictions. These methods seek to discover substructures that explain the prediction behavior of a trained GNN. In this paper, we show analytically that for a large class of explanation tasks, conventional approaches, which are based on the principle of graph information bottleneck (GIB), admit trivial solutions that do not align with the notion of explainability. Instead, we argue that a modified GIB principle may be used to avoid the aforementioned trivial solutions. We further introduce a novel factorized explanation model with theoretical performance guarantees. The modified GIB is used to analyze the structural properties of the proposed factorized explainer. We conduct extensive experiments on both synthetic and real-world datasets to validate the effectiveness of our proposed factorized explainer.  ( 2 min )

We study a model of machine teaching where the teacher mapping is constructed from a size function on both concepts and examples. The main question in machine teaching is the minimum number of examples needed for any concept, the so-called teaching dimension. A recent paper [7] conjectured that the worst case for this model, as a function of the size of the concept class, occurs when the consistency matrix contains the binary representations of numbers from zero and up. In this paper we prove their conjecture. The result can be seen as a generalization of a theorem resolving the edge isoperimetry problem for hypercubes [12], and our proof is based on a lemma of [10].  ( 2 min )

This paper introduces the first theoretical framework for quantifying the efficiency and performance gain opportunity size of adaptive inference algorithms. We provide new approximate and exact bounds for the achievable efficiency and performance gains, supported by empirical evidence demonstrating the potential for 10-100x efficiency improvements in both Computer Vision and Natural Language Processing tasks without incurring any performance penalties. Additionally, we offer insights on improving achievable efficiency gains through the optimal selection and design of adaptive inference state spaces.  ( 2 min )

Recently, neural networks utilizing periodic activation functions have been proven to demonstrate superior performance in vision tasks compared to traditional ReLU-activated networks. However, there is still a limited understanding of the underlying reasons for this improved performance. In this paper, we aim to address this gap by providing a theoretical understanding of periodically activated networks through an analysis of their Neural Tangent Kernel (NTK). We derive bounds on the minimum eigenvalue of their NTK in the finite width setting, using a fairly general network architecture which requires only one wide layer that grows at least linearly with the number of data samples. Our findings indicate that periodically activated networks are \textit{notably more well-behaved}, from the NTK perspective, than ReLU activated networks. Additionally, we give an application to the memorization capacity of such networks and verify our theoretical predictions empirically. Our study offers a deeper understanding of the properties of periodically activated neural networks and their potential in the field of deep learning.  ( 2 min )

In recent years there is a growing effort to provide learning algorithms for spectrum collaboration. In this paper we present a medium access control protocol which allows spectrum collaboration with minimal regret and high spectral efficiency in highly loaded networks. We present a fully-distributed algorithm for spectrum collaboration in congested ad-hoc networks. The algorithm jointly solves both the channel allocation and access scheduling problems. We prove that the algorithm has an optimal logarithmic regret. Based on the algorithm we provide a medium access control protocol which allows distributed implementation of the algorithm in ad-hoc networks. The protocol utilizes single-channel opportunistic carrier sensing to carry out a low-complexity distributed auction in time and frequency. We also discuss practical implementation issues such as bounded frame size and speed of convergence. Computer simulations comparing the algorithm to state-of-the-art distributed medium access control protocols show the significant advantage of the proposed scheme.  ( 2 min )

Light plays a vital role in vision either human or machine vision, the perceived color is always based on the lighting conditions of the surroundings. Researchers are working to enhance the color detection techniques for the application of computer vision. They have implemented proposed several methods using different color detection approaches but still, there is a gap that can be filled. To address this issue, a color detection method, which is based on a Convolutional Neural Network (CNN), is proposed. Firstly, image segmentation is performed using the edge detection segmentation technique to specify the object and then the segmented object is fed to the Convolutional Neural Network trained to detect the color of an object in different lighting conditions. It is experimentally verified that our method can substantially enhance the robustness of color detection in different lighting conditions, and our method performed better results than existing methods.  ( 2 min )

Bayesian optimization (BO) offers an elegant approach for efficiently optimizing black-box functions. However, acquisition criteria demand their own challenging inner-optimization, which can induce significant overhead. Many practical BO methods, particularly in high dimension, eschew a formal, continuous optimization of the acquisition function and instead search discretely over a finite set of space-filling candidates. Here, we propose to use candidates which lie on the boundary of the Voronoi tessellation of the current design points, so they are equidistant to two or more of them. We discuss strategies for efficient implementation by directly sampling the Voronoi boundary without explicitly generating the tessellation, thus accommodating large designs in high dimension. On a battery of test problems optimized via Gaussian processes with expected improvement, our proposed approach significantly improves the execution time of a multi-start continuous search without a loss in accuracy.  ( 2 min )

Fine-tuning is becoming widely used for leveraging the power of pre-trained foundation models in new downstream tasks. While there are many successes of fine-tuning on various tasks, recent studies have observed challenges in the generalization of fine-tuned models to unseen distributions (i.e., out-of-distribution; OOD). To improve OOD generalization, some previous studies identify the limitations of fine-tuning data and regulate fine-tuning to preserve the general representation learned from pre-training data. However, potential limitations in the pre-training data and models are often ignored. In this paper, we contend that overly relying on the pre-trained representation may hinder fine-tuning from learning essential representations for downstream tasks and thus hurt its OOD generalization. It can be especially catastrophic when new tasks are from different (sub)domains compared to pre-training data. To address the issues in both pre-training and fine-tuning data, we propose a novel generalizable fine-tuning method LEVI, where the pre-trained model is adaptively ensembled layer-wise with a small task-specific model, while preserving training and inference efficiencies. By combining two complementing models, LEVI effectively suppresses problematic features in both the fine-tuning data and pre-trained model and preserves useful features for new tasks. Broad experiments with large language and vision models show that LEVI greatly improves fine-tuning generalization via emphasizing different views from fine-tuning data and pre-trained features.  ( 2 min )

Privacy-utility tradeoff remains as one of the fundamental issues of differentially private machine learning. This paper introduces a geometrically inspired kernel-based approach to mitigate the accuracy-loss issue in classification. In this approach, a representation of the affine hull of given data points is learned in Reproducing Kernel Hilbert Spaces (RKHS). This leads to a novel distance measure that hides privacy-sensitive information about individual data points and improves the privacy-utility tradeoff via significantly reducing the risk of membership inference attacks. The effectiveness of the approach is demonstrated through experiments on MNIST dataset, Freiburg groceries dataset, and a real biomedical dataset. It is verified that the approach remains computationally practical. The application of the approach to federated learning is considered and it is observed that the accuracy-loss due to data being distributed is either marginal or not significantly high.  ( 2 min )

Although many deep learning (DL) algorithms have been proposed for the IMU-based HAR domain, traditional machine learning that utilizes handcrafted time series features (TSFs) still often performs well. It is not rare that combinations among DL and TSFs show better accuracy than DL-only approaches. However, there is a problem with time series features in IMU-based HAR. The amount of derived features can vary greatly depending on the method used to select the 3D basis. Fortunately, DL's strengths include capturing the features of input data and adaptively deriving parameters. Thus, as a new DNN model for IMU-based human activity recognition (HAR), this paper proposes rTsfNet, a DNN model with Multi-head 3D Rotation and Time Series Feature Extraction. rTsfNet automatically selects 3D bases from which features should be derived by extracting 3D rotation parameters within the DNN. Then, time series features (TSFs), based on many researchers' wisdom, are derived to achieve HAR using MLP. Although rTsfNet is a model that does not use CNN, it achieved higher accuracy than existing models under well-managed benchmark conditions and multiple datasets: UCI HAR, PAMAP2, Daphnet, and OPPORTUNITY, all of which target different activities.  ( 3 min )

The burgeoning fields of robot learning and embodied AI have triggered an increasing demand for large quantities of data. However, collecting sufficient unbiased data from the target domain remains a challenge due to costly data collection processes and stringent safety requirements. Consequently, researchers often resort to data from easily accessible source domains, such as simulation and laboratory environments, for cost-effective data acquisition and rapid model iteration. Nevertheless, the environments and embodiments of these source domains can be quite different from their target domain counterparts, underscoring the need for effective cross-domain policy transfer approaches. In this paper, we conduct a systematic review of existing cross-domain policy transfer methods. Through a nuanced categorization of domain gaps, we encapsulate the overarching insights and design considerations of each problem setting. We also provide a high-level discussion about the key methodologies used in cross-domain policy transfer problems. Lastly, we summarize the open challenges that lie beyond the capabilities of current paradigms and discuss potential future directions in this field.  ( 2 min )

Predictive coding networks are neuroscience-inspired models with roots in both Bayesian statistics and neuroscience. Training such models, however, is quite inefficient and unstable. In this work, we show how by simply changing the temporal scheduling of the update rule for the synaptic weights leads to an algorithm that is much more efficient and stable than the original one, and has theoretical guarantees in terms of convergence. The proposed algorithm, that we call incremental predictive coding (iPC) is also more biologically plausible than the original one, as it it fully automatic. In an extensive set of experiments, we show that iPC constantly performs better than the original formulation on a large number of benchmarks for image classification, as well as for the training of both conditional and masked language models, in terms of test accuracy, efficiency, and convergence with respect to a large set of hyperparameters.  ( 2 min )

Adversarial examples arose as a challenge for machine learning. To hinder them, most defenses alter how models are trained (e.g., adversarial training) or inference is made (e.g., randomized smoothing). Still, while these approaches markedly improve models' adversarial robustness, models remain highly susceptible to adversarial examples. Identifying that, in certain domains such as traffic-sign recognition, objects are implemented per standards specifying how artifacts (e.g., signs) should be designed, we propose a novel approach for improving adversarial robustness. Specifically, we offer a method to redefine standards, making minor changes to existing ones, to defend against adversarial examples. We formulate the problem of artifact design as a robust optimization problem, and propose gradient-based and greedy search methods to solve it. We evaluated our approach in the domain of traffic-sign recognition, allowing it to alter traffic-sign pictograms (i.e., symbols within the signs) and their colors. We found that, combined with adversarial training, our approach led to up to 25.18\% higher robust accuracy compared to state-of-the-art methods against two adversary types, while further increasing accuracy on benign inputs.  ( 2 min )

Modeling large scenes from unconstrained images has proven to be a major challenge in computer vision. Existing methods tackling in-the-wild scene modeling operate in closed-world settings, where no conditioning on priors acquired from real-world images is present. We propose RefinedFields, which is, to the best of our knowledge, the first method leveraging pre-trained models to improve in-the-wild scene modeling. We employ pre-trained networks to refine K-Planes representations via optimization guidance using an alternating training procedure. We carry out extensive experiments and verify the merit of our method on synthetic data and real tourism photo collections. RefinedFields enhances rendered scenes with richer details and outperforms previous work on the task of novel view synthesis in the wild. Our project page can be found at https://refinedfields.github.io .  ( 2 min )

An extension of the Hawkes process, the Marked Hawkes process distinguishes itself by featuring variable jump size across each event, in contrast to the constant jump size observed in a Hawkes process without marks. While extensive literature has been dedicated to the non-parametric estimation of both the linear and non-linear Hawkes process, there remains a significant gap in the literature regarding the marked Hawkes process. In response to this, we propose a methodology for estimating the conditional intensity of the marked Hawkes process. We introduce two distinct models: \textit{Shallow Neural Hawkes with marks}- for Hawkes processes with excitatory kernels and \textit{Neural Network for Non-Linear Hawkes with Marks}- for non-linear Hawkes processes. Both these approaches take the past arrival times and their corresponding marks as the input to obtain the arrival intensity. This approach is entirely non-parametric, preserving the interpretability associated with the marked Hawkes process. To validate the efficacy of our method, we subject the method to synthetic datasets with known ground truth. Additionally, we apply our method to model cryptocurrency order book data, demonstrating its applicability to real-world scenarios.  ( 2 min )

Post-training quantization (PTQ) reduces the memory footprint of LLMs by quantizing their weights to low-precision. In this work, we introduce QuIP#, a weight-only PTQ method that achieves state-of-the-art results in extreme compression regimes ($\le$ 4 bits per weight) using three novel techniques. First, QuIP# improves the incoherence processing from QuIP by using the randomized Hadamard transform, which is faster and has better theoretical properties. Second, QuIP# uses vector quantization techniques to take advantage of the ball-shaped sub-Gaussian distribution that incoherent weights possess: specifically, we introduce a set of hardware-efficient codebooks based on the highly symmetric $E_8$ lattice, which achieves the optimal 8-dimension unit ball packing. Third, QuIP# uses fine-tuning to improve fidelity to the original model. Our experiments show that QuIP# outperforms existing PTQ methods, enables new behaviors in PTQ scaling, and supports fast inference.  ( 2 min )

This work studies machine learning for electron density prediction, which is fundamental for understanding chemical systems and density functional theory (DFT) simulations. To this end, we introduce the Gaussian plane-wave neural operator (GPWNO), which operates in the infinite-dimensional functional space using the plane-wave and Gaussian-type orbital bases, widely recognized in the context of DFT. In particular, both high- and low-frequency components of the density can be effectively represented due to the complementary nature of the two bases. Extensive experiments on QM9, MD, and material project datasets demonstrate GPWNO's superior performance over ten baselines.  ( 2 min )

The introduction of AI and ML technologies into medical devices has revolutionized healthcare diagnostics and treatments. Medical device manufacturers are keen to maximize the advantages afforded by AI and ML by consolidating multiple applications onto a single platform. However, concurrent execution of several AI applications, each with its own visualization components, leads to unpredictable end-to-end latency, primarily due to GPU resource contentions. To mitigate this, manufacturers typically deploy separate workstations for distinct AI applications, thereby increasing financial, energy, and maintenance costs. This paper addresses these challenges within the context of NVIDIA's Holoscan platform, a real-time AI system for streaming sensor data and images. We propose a system design optimized for heterogeneous GPU workloads, encompassing both compute and graphics tasks. Our design leverages CUDA MPS for spatial partitioning of compute workloads and isolates compute and graphics processing onto separate GPUs. We demonstrate significant performance improvements across various end-to-end latency determinism metrics through empirical evaluation with real-world Holoscan medical device applications. For instance, the proposed design reduces maximum latency by 21-30% and improves latency distribution flatness by 17-25% for up to five concurrent endoscopy tool tracking AI applications, compared to a single-GPU baseline. Against a default multi-GPU setup, our optimizations decrease maximum latency by 35% for up to six concurrent applications by improving GPU utilization by 42%. This paper provides clear design insights for AI applications in the edge-computing domain including medical systems, where performance predictability of concurrent and heterogeneous GPU workloads is a critical requirement.  ( 3 min )

Autoencoders are a prominent model in many empirical branches of machine learning and lossy data compression. However, basic theoretical questions remain unanswered even in a shallow two-layer setting. In particular, to what degree does a shallow autoencoder capture the structure of the underlying data distribution? For the prototypical case of the 1-bit compression of sparse Gaussian data, we prove that gradient descent converges to a solution that completely disregards the sparse structure of the input. Namely, the performance of the algorithm is the same as if it was compressing a Gaussian source - with no sparsity. For general data distributions, we give evidence of a phase transition phenomenon in the shape of the gradient descent minimizer, as a function of the data sparsity: below the critical sparsity level, the minimizer is a rotation taken uniformly at random (just like in the compression of non-sparse data); above the critical sparsity, the minimizer is the identity (up to a permutation). Finally, by exploiting a connection with approximate message passing algorithms, we show how to improve upon Gaussian performance for the compression of sparse data: adding a denoising function to a shallow architecture already reduces the loss provably, and a suitable multi-layer decoder leads to a further improvement. We validate our findings on image datasets, such as CIFAR-10 and MNIST.  ( 3 min )

In the pursuit of novel catalyst development to address pressing environmental concerns and energy demand, conventional design and optimization methods often fall short due to the complexity and vastness of the catalyst parameter space. The advent of Machine Learning (ML) has ushered in a new era in the field of catalyst optimization, offering potential solutions to the shortcomings of traditional techniques. However, existing methods fail to effectively harness the wealth of information contained within the burgeoning body of scientific literature on catalyst synthesis. To address this gap, this study proposes an innovative Artificial Intelligence (AI) workflow that integrates Large Language Models (LLMs), Bayesian optimization, and an active learning loop to expedite and enhance catalyst optimization. Our methodology combines advanced language understanding with robust optimization strategies, effectively translating knowledge extracted from diverse literature into actionable parameters for practical experimentation and optimization. In this article, we demonstrate the application of this AI workflow in the optimization of catalyst synthesis for ammonia production. The results underscore the workflow's ability to streamline the catalyst development process, offering a swift, resource-efficient, and high-precision alternative to conventional methods.  ( 2 min )

Space-based gravitational wave detection is one of the most anticipated gravitational wave (GW) detection projects in the next decade, which is promising to detect abundant compact binary systems. However, the precise prediction of space GW waveforms remains unexplored. To solve the data processing difficulty in the increasing waveform complexity caused by detectors' response and second-generation time-delay interferometry (TDI 2.0), an interpretable pre-trained large model named CBS-GPT (Compact Binary Systems Waveform Generation with Generative Pre-trained Transformer) is proposed. For compact binary system waveforms, three models were trained to predict the waveforms of massive black hole binary (MBHB), extreme mass-ratio inspirals (EMRIs), and galactic binary (GB), achieving prediction accuracies of 99%, 91%, and 99%, respectively at most.The CBS-GPT model exhibits notable generalization and interpretability, with its hidden parameters effectively capturing the intricate information of waveforms, even with complex instrument response and a wide parameter range. Our research demonstrates the potential of large pre-trained models in gravitational wave realm, opening up new opportunities and guidance for future researches such as the complex waveforms generation, gap completion, and deep learning model design for GW science.  ( 2 min )

This work studies algorithms for learning from aggregate responses. We focus on the construction of aggregation sets (called bags in the literature) for event-level loss functions. We prove for linear regression and generalized linear models (GLMs) that the optimal bagging problem reduces to one-dimensional size-constrained $k$-means clustering. Further, we theoretically quantify the advantage of using curated bags over random bags. We then propose the PriorBoost algorithm, which adaptively forms bags of samples that are increasingly homogeneous with respect to (unobserved) individual responses to improve model quality. We study label differential privacy for aggregate learning, and we also provide extensive experiments showing that PriorBoost regularly achieves optimal model quality for event-level predictions, in stark contrast to non-adaptive algorithms.  ( 2 min )

We study the problem of training diffusion models to sample from a distribution with a given unnormalized density or energy function. We benchmark several diffusion-structured inference methods, including simulation-based variational approaches and off-policy methods (continuous generative flow networks). Our results shed light on the relative advantages of existing algorithms while bringing into question some claims from past work. We also propose a novel exploration strategy for off-policy methods, based on local search in the target space with the use of a replay buffer, and show that it improves the quality of samples on a variety of target distributions. Our code for the sampling methods and benchmarks studied is made public at https://github.com/GFNOrg/gfn-diffusion as a base for future work on diffusion models for amortized inference.  ( 2 min )

Medical imaging faces challenges such as limited spatial resolution, interference from electronic noise and poor contrast-to-noise ratios. Photon Counting Computed Tomography (PCCT) has emerged as a solution, addressing these issues with its innovative technology. This review delves into the recent developments and applications of PCCT in pre-clinical research, emphasizing its potential to overcome traditional imaging limitations. For example PCCT has demonstrated remarkable efficacy in improving the detection of subtle abnormalities in breast, providing a level of detail previously unattainable. Examining the current literature on PCCT, it presents a comprehensive analysis of the technology, highlighting the main features of scanners and their varied applications. In addition, it explores the integration of deep learning into PCCT, along with the study of radiomic features, presenting successful applications in data processing. While acknowledging these advances, it also discusses the existing challenges in this field, paving the way for future research and improvements in medical imaging technologies. Despite the limited number of articles on this subject, due to the recent integration of PCCT at a clinical level, its potential benefits extend to various diagnostic applications.  ( 2 min )

We propose a comprehensive sample-based method for assessing the quality of generative models. The proposed approach enables the estimation of the probability that two sets of samples are drawn from the same distribution, providing a statistically rigorous method for assessing the performance of a single generative model or the comparison of multiple competing models trained on the same dataset. This comparison can be conducted by dividing the space into non-overlapping regions and comparing the number of data samples in each region. The method only requires samples from the generative model and the test data. It is capable of functioning directly on high-dimensional data, obviating the need for dimensionality reduction. Significantly, the proposed method does not depend on assumptions regarding the density of the true distribution, and it does not rely on training or fitting any auxiliary models. Instead, it focuses on approximating the integral of the density (probability mass) across various sub-regions within the data space.  ( 2 min )

The biological functions of proteins often depend on dynamic structural ensembles. In this work, we develop a flow-based generative modeling approach for learning and sampling the conformational landscapes of proteins. We repurpose highly accurate single-state predictors such as AlphaFold and ESMFold and fine-tune them under a custom flow matching framework to obtain sequence-conditoned generative models of protein structure called AlphaFlow and ESMFlow. When trained and evaluated on the PDB, our method provides a superior combination of precision and diversity compared to AlphaFold with MSA subsampling. When further trained on ensembles from all-atom MD, our method accurately captures conformational flexibility, positional distributions, and higher-order ensemble observables for unseen proteins. Moreover, our method can diversify a static PDB structure with faster wall-clock convergence to certain equilibrium properties than replicate MD trajectories, demonstrating its potential as a proxy for expensive physics-based simulations. Code is available at https://github.com/bjing2016/alphaflow.  ( 2 min )

Large Language Models (LLMs) have recently become proficient in addressing complex tasks by utilizing their rich internal knowledge and reasoning ability. Consequently, this complexity hinders traditional input-focused explanation algorithms for explaining the complex decision-making processes of LLMs. Recent advancements have thus emerged for self-explaining their predictions through a single feed-forward inference in a natural language format. However, natural language explanations are often criticized for lack of faithfulness since these explanations may not accurately reflect the decision-making behaviors of the LLMs. In this work, we introduce a generative explanation framework, xLLM, to improve the faithfulness of the explanations provided in natural language formats for LLMs. Specifically, we propose an evaluator to quantify the faithfulness of natural language explanation and enhance the faithfulness by an iterative optimization process of xLLM, with the goal of maximizing the faithfulness scores. Experiments conducted on three NLU datasets demonstrate that xLLM can significantly improve the faithfulness of generated explanations, which are in alignment with the behaviors of LLMs.  ( 2 min )

Although the computing power of mobile devices is increasing, machine learning models are also growing in size. This trend creates problems for mobile devices due to limitations like their memory capacity and battery life. While many services, like ChatGPT and Midjourney, run all the inferences in the cloud, we believe a flexible and fine-grained task distribution is more desirable. In this work, we consider model segmentation as a solution to improving the user experience, dividing the computation between mobile devices and the cloud in a way that offloads the compute-heavy portion of the model while minimizing the data transfer required. We show that the division not only reduces the wait time for users but can also be fine-tuned to optimize the workloads of the cloud. To achieve that, we design a scheduler that collects information about network quality, client device capability, and job requirements, making decisions to achieve consistent performance across a range of devices while reducing the work the cloud needs to perform.  ( 2 min )

We present a novel approach to accelerate stochastic gradient descent (SGD) by utilizing curvature information obtained from Hessian-vector products or finite differences of parameters and gradients, similar to the BFGS algorithm. Our approach involves two preconditioners: a matrix-free preconditioner and a low-rank approximation preconditioner. We update both preconditioners online using a criterion that is robust to stochastic gradient noise and does not require line search or damping. To preserve the corresponding symmetry or invariance, our preconditioners are constrained to certain connected Lie groups. The Lie group's equivariance property simplifies the preconditioner fitting process, while its invariance property eliminates the need for damping, which is commonly required in second-order optimizers. As a result, the learning rate for parameter updating and the step size for preconditioner fitting are naturally normalized, and their default values work well in most scenarios. Our proposed approach offers a promising direction for improving the convergence of SGD with low computational overhead. We demonstrate that Preconditioned SGD (PSGD) outperforms SoTA on Vision, NLP, and RL tasks across multiple modern deep-learning architectures. We have provided code for reproducing toy and large scale experiments in this paper.  ( 2 min )

Pre-trained Vision-Language Models (VLMs) are able to understand visual concepts, describe and decompose complex tasks into sub-tasks, and provide feedback on task completion. In this paper, we aim to leverage these capabilities to support the training of reinforcement learning (RL) agents. In principle, VLMs are well suited for this purpose, as they can naturally analyze image-based observations and provide feedback (reward) on learning progress. However, inference in VLMs is computationally expensive, so querying them frequently to compute rewards would significantly slowdown the training of an RL agent. To address this challenge, we propose a framework named Code as Reward (VLM-CaR). VLM-CaR produces dense reward functions from VLMs through code generation, thereby significantly reducing the computational burden of querying the VLM directly. We show that the dense rewards generated through our approach are very accurate across a diverse set of discrete and continuous environments, and can be more effective in training RL policies than the original sparse environment rewards.  ( 2 min )

Graph condensation aims to reduce the size of a large-scale graph dataset by synthesizing a compact counterpart without sacrificing the performance of Graph Neural Networks (GNNs) trained on it, which has shed light on reducing the computational cost for training GNNs. Nevertheless, existing methods often fall short of accurately replicating the original graph for certain datasets, thereby failing to achieve the objective of lossless condensation. To understand this phenomenon, we investigate the potential reasons and reveal that the previous state-of-the-art trajectory matching method provides biased and restricted supervision signals from the original graph when optimizing the condensed one. This significantly limits both the scale and efficacy of the condensed graph. In this paper, we make the first attempt toward \textit{lossless graph condensation} by bridging the previously neglected supervision signals. Specifically, we employ a curriculum learning strategy to train expert trajectories with more diverse supervision signals from the original graph, and then effectively transfer the information into the condensed graph with expanding window matching. Moreover, we design a loss function to further extract knowledge from the expert trajectories. Theoretical analysis justifies the design of our method and extensive experiments verify its superiority across different datasets. Code is released at https://github.com/NUS-HPC-AI-Lab/GEOM.  ( 3 min )

In Federated Learning (FL), the distributed nature and heterogeneity of client data present both opportunities and challenges. While collaboration among clients can significantly enhance the learning process, not all collaborations are beneficial; some may even be detrimental. In this study, we introduce a novel algorithm that assigns adaptive aggregation weights to clients participating in FL training, identifying those with data distributions most conducive to a specific learning objective. We demonstrate that our aggregation method converges no worse than the method that aggregates only the updates received from clients with the same data distribution. Furthermore, empirical evaluations consistently reveal that collaborations guided by our algorithm outperform traditional FL approaches. This underscores the critical role of judicious client selection and lays the foundation for more streamlined and effective FL implementations in the coming years.  ( 2 min )

Bioinformatics has witnessed a paradigm shift with the increasing integration of artificial intelligence (AI), particularly through the adoption of foundation models (FMs). These AI techniques have rapidly advanced, addressing historical challenges in bioinformatics such as the scarcity of annotated data and the presence of data noise. FMs are particularly adept at handling large-scale, unlabeled data, a common scenario in biological contexts due to the time-consuming and costly nature of experimentally determining labeled data. This characteristic has allowed FMs to excel and achieve notable results in various downstream validation tasks, demonstrating their ability to represent diverse biological entities effectively. Undoubtedly, FMs have ushered in a new era in computational biology, especially in the realm of deep learning. The primary goal of this survey is to conduct a systematic investigation and summary of FMs in bioinformatics, tracing their evolution, current research status, and the methodologies employed. Central to our focus is the application of FMs to specific biological problems, aiming to guide the research community in choosing appropriate FMs for their research needs. We delve into the specifics of the problem at hand including sequence analysis, structure prediction, function annotation, and multimodal integration, comparing the structures and advancements against traditional methods. Furthermore, the review analyses challenges and limitations faced by FMs in biology, such as data noise, model explainability, and potential biases. Finally, we outline potential development paths and strategies for FMs in future biological research, setting the stage for continued innovation and application in this rapidly evolving field. This comprehensive review serves not only as an academic resource but also as a roadmap for future explorations and applications of FMs in biology.  ( 3 min )

In many problems, the measured variables (e.g., image pixels) are just mathematical functions of the hidden causal variables (e.g., the underlying concepts or objects). For the purpose of making predictions in changing environments or making proper changes to the system, it is helpful to recover the hidden causal variables $Z_i$ and their causal relations represented by graph $\mathcal{G}_Z$. This problem has recently been known as causal representation learning. This paper is concerned with a general, completely nonparametric setting of causal representation learning from multiple distributions (arising from heterogeneous data or nonstationary time series), without assuming hard interventions behind distribution changes. We aim to develop general solutions in this fundamental case; as a by product, this helps see the unique benefit offered by other assumptions such as parametric causal models or hard interventions. We show that under the sparsity constraint on the recovered graph over the latent variables and suitable sufficient change conditions on the causal influences, interestingly, one can recover the moralized graph of the underlying directed acyclic graph, and the recovered latent variables and their relations are related to the underlying causal model in a specific, nontrivial way. In some cases, each latent variable can even be recovered up to component-wise transformations. Experimental results verify our theoretical claims.  ( 2 min )

Optimal transport aims to learn a mapping of sources to targets by minimizing the cost, which is typically defined as a function of distance. The solution to this problem consists of straight line segments optimally connecting sources to targets, and it does not exhibit branching. These optimal solutions are in stark contrast with both natural, and man-made transportation networks, where branching structures are prevalent. Here we discuss a fast heuristic branching method for optimal transport in networks. We also provide several numerical applications to synthetic examples, a simplified cardiovascular network, and the "Santa Claus" distribution network which includes 141,182 cities around the world, with known location and population.  ( 2 min )

The diverse agents in multi-agent perception systems may be from different companies. Each company might use the identical classic neural network architecture based encoder for feature extraction. However, the data source to train the various agents is independent and private in each company, leading to the Distribution Gap of different private data for training distinct agents in multi-agent perception system. The data silos by the above Distribution Gap could result in a significant performance decline in multi-agent perception. In this paper, we thoroughly examine the impact of the distribution gap on existing multi-agent perception systems. To break the data silos, we introduce the Feature Distribution-aware Aggregation (FDA) framework for cross-domain learning to mitigate the above Distribution Gap in multi-agent perception. FDA comprises two key components: Learnable Feature Compensation Module and Distribution-aware Statistical Consistency Module, both aimed at enhancing intermediate features to minimize the distribution gap among multi-agent features. Intensive experiments on the public OPV2V and V2XSet datasets underscore FDA's effectiveness in point cloud-based 3D object detection, presenting it as an invaluable augmentation to existing multi-agent perception systems.  ( 2 min )

Human Activity Recognition (HAR) models often suffer from performance degradation in real-world applications due to distribution shifts in activity patterns across individuals. Test-Time Adaptation (TTA) is an emerging learning paradigm that aims to utilize the test stream to adjust predictions in real-time inference, which has not been explored in HAR before. However, the high computational cost of optimization-based TTA algorithms makes it intractable to run on resource-constrained edge devices. In this paper, we propose an Optimization-Free Test-Time Adaptation (OFTTA) framework for sensor-based HAR. OFTTA adjusts the feature extractor and linear classifier simultaneously in an optimization-free manner. For the feature extractor, we propose Exponential DecayTest-time Normalization (EDTN) to replace the conventional batch normalization (CBN) layers. EDTN combines CBN and Test-time batch Normalization (TBN) to extract reliable features against domain shifts with TBN's influence decreasing exponentially in deeper layers. For the classifier, we adjust the prediction by computing the distance between the feature and the prototype, which is calculated by a maintained support set. In addition, the update of the support set is based on the pseudo label, which can benefit from reliable features extracted by EDTN. Extensive experiments on three public cross-person HAR datasets and two different TTA settings demonstrate that OFTTA outperforms the state-of-the-art TTA approaches in both classification performance and computational efficiency. Finally, we verify the superiority of our proposed OFTTA on edge devices, indicating possible deployment in real applications. Our code is available at https://github.com/Claydon-Wang/OFTTA.  ( 3 min )

In this paper, we prove the first Bayesian regret bounds for Thompson Sampling in reinforcement learning in a multitude of settings. We simplify the learning problem using a discrete set of surrogate environments, and present a refined analysis of the information ratio using posterior consistency. This leads to an upper bound of order $\widetilde{O}(H\sqrt{d_{l_1}T})$ in the time inhomogeneous reinforcement learning problem where $H$ is the episode length and $d_{l_1}$ is the Kolmogorov $l_1-$dimension of the space of environments. We then find concrete bounds of $d_{l_1}$ in a variety of settings, such as tabular, linear and finite mixtures, and discuss how how our results are either the first of their kind or improve the state-of-the-art.  ( 2 min )

Humans often acquire new skills through observation and imitation. For robotic agents, learning from the plethora of unlabeled video demonstration data available on the Internet necessitates imitating the expert without access to its action, presenting a challenge known as Imitation Learning from Observations (ILfO). A common approach to tackle ILfO problems is to convert them into inverse reinforcement learning problems, utilizing a proxy reward computed from the agent's and the expert's observations. Nonetheless, we identify that tasks characterized by a progress dependency property pose significant challenges for such approaches; in these tasks, the agent needs to initially learn the expert's preceding behaviors before mastering the subsequent ones. Our investigation reveals that the main cause is that the reward signals assigned to later steps hinder the learning of initial behaviors. To address this challenge, we present a novel ILfO framework that enables the agent to master earlier behaviors before advancing to later ones. We introduce an Automatic Discount Scheduling (ADS) mechanism that adaptively alters the discount factor in reinforcement learning during the training phase, prioritizing earlier rewards initially and gradually engaging later rewards only when the earlier behaviors have been mastered. Our experiments, conducted on nine Meta-World tasks, demonstrate that our method significantly outperforms state-of-the-art methods across all tasks, including those that are unsolvable by them.  ( 3 min )

The Simplified General Perturbations 4 (SGP4) orbital propagation method is widely used for predicting the positions and velocities of Earth-orbiting objects rapidly and reliably. Despite continuous refinement, SGP models still lack the precision of numerical propagators, which offer significantly smaller errors. This study presents dSGP4, a novel differentiable version of SGP4 implemented using PyTorch. By making SGP4 differentiable, dSGP4 facilitates various space-related applications, including spacecraft orbit determination, state conversion, covariance transformation, state transition matrix computation, and covariance propagation. Additionally, dSGP4's PyTorch implementation allows for embarrassingly parallel orbital propagation across batches of Two-Line Element Sets (TLEs), leveraging the computational power of CPUs, GPUs, and advanced hardware for distributed prediction of satellite positions at future times. Furthermore, dSGP4's differentiability enables integration with modern machine learning techniques. Thus, we propose a novel orbital propagation paradigm, ML-dSGP4, where neural networks are integrated into the orbital propagator. Through stochastic gradient descent, this combined model's inputs, outputs, and parameters can be iteratively refined, surpassing SGP4's precision. Neural networks act as identity operators by default, adhering to SGP4's behavior. However, dSGP4's differentiability allows fine-tuning with ephemeris data, enhancing precision while maintaining computational speed. This empowers satellite operators and researchers to train the model using specific ephemeris or high-precision numerical propagation data, significantly advancing orbital prediction capabilities.  ( 2 min )

Tree-based machine learning models, such as decision trees and random forests, have been hugely successful in classification tasks primarily because of their predictive power in supervised learning tasks and ease of interpretation. Despite their popularity and power, these models have been found to produce unexpected or discriminatory outcomes. Given their overwhelming success for most tasks, it is of interest to identify sources of their unexpected and discriminatory behavior. However, there has not been much work on understanding and debugging tree-based classifiers in the context of fairness. We introduce FairDebugger, a system that utilizes recent advances in machine unlearning research to identify training data subsets responsible for instances of fairness violations in the outcomes of a random forest classifier. FairDebugger generates top-$k$ explanations (in the form of coherent training data subsets) for model unfairness. Toward this goal, FairDebugger first utilizes machine unlearning to estimate the change in the tree structures of the random forest when parts of the underlying training data are removed, and then leverages the Apriori algorithm from frequent itemset mining to reduce the subset search space. We empirically evaluate our approach on three real-world datasets, and demonstrate that the explanations generated by FairDebugger are consistent with insights from prior studies on these datasets.  ( 2 min )

Masked Autoencoder (MAE) has demonstrated superior performance on various vision tasks via randomly masking image patches and reconstruction. However, effective data augmentation strategies for MAE still remain open questions, different from those in contrastive learning that serve as the most important part. This paper studies the prevailing mixing augmentation for MAE. We first demonstrate that naive mixing will in contrast degenerate model performance due to the increase of mutual information (MI). To address, we propose homologous recognition, an auxiliary pretext task, not only to alleviate the MI increasement by explicitly requiring each patch to recognize homologous patches, but also to perform object-aware self-supervised pre-training for better downstream dense perception performance. With extensive experiments, we demonstrate that our proposed Mixed Autoencoder (MixedAE) achieves the state-of-the-art transfer results among masked image modeling (MIM) augmentations on different downstream tasks with significant efficiency. Specifically, our MixedAE outperforms MAE by +0.3% accuracy, +1.7 mIoU and +0.9 AP on ImageNet-1K, ADE20K and COCO respectively with a standard ViT-Base. Moreover, MixedAE surpasses iBOT, a strong MIM method combined with instance discrimination, while accelerating training by 2x. To our best knowledge, this is the very first work to consider mixing for MIM from the perspective of pretext task design. Code will be made available.  ( 2 min )

Training on large-scale graphs has achieved remarkable results in graph representation learning, but its cost and storage have raised growing concerns. As one of the most promising directions, graph condensation methods address these issues by employing gradient matching, aiming to condense the full graph into a more concise yet information-rich synthetic set. Though encouraging, these strategies primarily emphasize matching directions of the gradients, which leads to deviations in the training trajectories. Such deviations are further magnified by the differences between the condensation and evaluation phases, culminating in accumulated errors, which detrimentally affect the performance of the condensed graphs. In light of this, we propose a novel graph condensation method named \textbf{C}raf\textbf{T}ing \textbf{R}ationa\textbf{L} trajectory (\textbf{CTRL}), which offers an optimized starting point closer to the original dataset's feature distribution and a more refined strategy for gradient matching. Theoretically, CTRL can effectively neutralize the impact of accumulated errors on the performance of condensed graphs. We provide extensive experiments on various graph datasets and downstream tasks to support the effectiveness of CTRL. Code is released at https://github.com/NUS-HPC-AI-Lab/CTRL.  ( 3 min )

Deep Generative Models (DGMs) have been shown to be powerful tools for generating tabular data, as they have been increasingly able to capture the complex distributions that characterize them. However, to generate realistic synthetic data, it is often not enough to have a good approximation of their distribution, as it also requires compliance with constraints that encode essential background knowledge on the problem at hand. In this paper, we address this limitation and show how DGMs for tabular data can be transformed into Constrained Deep Generative Models (C-DGMs), whose generated samples are guaranteed to be compliant with the given constraints. This is achieved by automatically parsing the constraints and transforming them into a Constraint Layer (CL) seamlessly integrated with the DGM. Our extensive experimental analysis with various DGMs and tasks reveals that standard DGMs often violate constraints, some exceeding $95\%$ non-compliance, while their corresponding C-DGMs are never non-compliant. Then, we quantitatively demonstrate that, at training time, C-DGMs are able to exploit the background knowledge expressed by the constraints to outperform their standard counterparts with up to $6.5\%$ improvement in utility and detection. Further, we show how our CL does not necessarily need to be integrated at training time, as it can be also used as a guardrail at inference time, still producing some improvements in the overall performance of the models. Finally, we show that our CL does not hinder the sample generation time of the models.  ( 3 min )

Large-scale recordings of neural activity are providing new opportunities to study neural population dynamics. A powerful method for analyzing such high-dimensional measurements is to deploy an algorithm to learn the low-dimensional latent dynamics. LFADS (Latent Factor Analysis via Dynamical Systems) is a deep learning method for inferring latent dynamics from high-dimensional neural spiking data recorded simultaneously in single trials. This method has shown a remarkable performance in modeling complex brain signals with an average inference latency in milliseconds. As our capacity of simultaneously recording many neurons is increasing exponentially, it is becoming crucial to build capacity for deploying low-latency inference of the computing algorithms. To improve the real-time processing ability of LFADS, we introduce an efficient implementation of the LFADS models onto Field Programmable Gate Arrays (FPGA). Our implementation shows an inference latency of 41.97 $\mu$s for processing the data in a single trial on a Xilinx U55C.  ( 2 min )

To enhance the efficiency and practicality of federated bandit learning, recent advances have introduced incentives to motivate communication among clients, where a client participates only when the incentive offered by the server outweighs its participation cost. However, existing incentive mechanisms naively assume the clients are truthful: they all report their true cost and thus the higher cost one participating client claims, the more the server has to pay. Therefore, such mechanisms are vulnerable to strategic clients aiming to optimize their own utility by misreporting. To address this issue, we propose an incentive compatible (i.e., truthful) communication protocol, named Truth-FedBan, where the incentive for each participant is independent of its self-reported cost, and reporting the true cost is the only way to achieve the best utility. More importantly, Truth-FedBan still guarantees the sub-linear regret and communication cost without any overheads. In other words, the core conceptual contribution of this paper is, for the first time, demonstrating the possibility of simultaneously achieving incentive compatibility and nearly optimal regret in federated bandit learning. Extensive numerical studies further validate the effectiveness of our proposed solution.  ( 2 min )

Graph transformers typically lack direct pair-to-pair communication, instead forcing neighboring pairs to exchange information via a common node. We propose the Triplet Graph Transformer (TGT) that enables direct communication between two neighboring pairs in a graph via novel triplet attention and aggregation mechanisms. TGT is applied to molecular property prediction by first predicting interatomic distances from 2D graphs and then using these distances for downstream tasks. A novel three-stage training procedure and stochastic inference further improve training efficiency and model performance. Our model achieves new state-of-the-art (SOTA) results on open challenge benchmarks PCQM4Mv2 and OC20 IS2RE. We also obtain SOTA results on QM9, MOLPCBA, and LIT-PCBA molecular property prediction benchmarks via transfer learning. We also demonstrate the generality of TGT with SOTA results on the traveling salesman problem (TSP).  ( 2 min )

The quest to improve scalar performance numbers on predetermined benchmarks seems to be deeply engraved in deep learning. However, the real world is seldom carefully curated and applications are seldom limited to excelling on test sets. A practical system is generally required to recognize novel concepts, refrain from actively including uninformative data, and retain previously acquired knowledge throughout its lifetime. Despite these key elements being rigorously researched individually, the study of their conjunction, open world lifelong learning, is only a recent trend. To accelerate this multifaceted field's exploration, we introduce its first monolithic and much-needed baseline. Leveraging the ubiquitous use of batch normalization across deep neural networks, we propose a deceptively simple yet highly effective way to repurpose standard models for open world lifelong learning. Through extensive empirical evaluation, we highlight why our approach should serve as a future standard for models that are able to effectively maintain their knowledge, selectively focus on informative data, and accelerate future learning.  ( 2 min )

Diffusion models have emerged as a powerful tool rivaling GANs in generating high-quality samples with improved fidelity, flexibility, and robustness. A key component of these models is to learn the score function through score matching. Despite empirical success on various tasks, it remains unclear whether gradient-based algorithms can learn the score function with a provable accuracy. As a first step toward answering this question, this paper establishes a mathematical framework for analyzing score estimation using neural networks trained by gradient descent. Our analysis covers both the optimization and the generalization aspects of the learning procedure. In particular, we propose a parametric form to formulate the denoising score-matching problem as a regression with noisy labels. Compared to the standard supervised learning setup, the score-matching problem introduces distinct challenges, including unbounded input, vector-valued output, and an additional time variable, preventing existing techniques from being applied directly. In this paper, we show that with a properly designed neural network architecture, the score function can be accurately approximated by a reproducing kernel Hilbert space induced by neural tangent kernels. Furthermore, by applying an early-stopping rule for gradient descent and leveraging certain coupling arguments between neural network training and kernel regression, we establish the first generalization error (sample complexity) bounds for learning the score function despite the presence of noise in the observations. Our analysis is grounded in a novel parametric form of the neural network and an innovative connection between score matching and regression analysis, facilitating the application of advanced statistical and optimization techniques.  ( 3 min )

This thesis proposes and describes a research attempt at designing and developing a speaker independent spontaneous automatic speech recognition system for Tigrigna The acoustic model of the Speech Recognition System is developed using Carnegie Mellon University Automatic Speech Recognition development tool (Sphinx) while the SRIM tool is used for the development of the language model. Keywords Automatic Speech Recognition Tigrigna language  ( 2 min )

Reinforcement learning (RL) with sparse and deceptive rewards is challenging because non-zero rewards are rarely obtained. Hence, the gradient calculated by the agent can be stochastic and without valid information. Recent studies that utilize memory buffers of previous experiences can lead to a more efficient learning process. However, existing methods often require these experiences to be successful and may overly exploit them, which can cause the agent to adopt suboptimal behaviors. This paper develops an approach that uses diverse past trajectories for faster and more efficient online RL, even if these trajectories are suboptimal or not highly rewarded. The proposed algorithm combines a policy improvement step with an additional exploration step using offline demonstration data. The main contribution of this paper is that by regarding diverse past trajectories as guidance, instead of imitating them, our method directs its policy to follow and expand past trajectories while still being able to learn without rewards and approach optimality. Furthermore, a novel diversity measurement is introduced to maintain the team's diversity and regulate exploration. The proposed algorithm is evaluated on discrete and continuous control tasks with sparse and deceptive rewards. Compared with the existing RL methods, the experimental results indicate that our proposed algorithm is significantly better than the baseline methods regarding diverse exploration and avoiding local optima.  ( 2 min )

Research surveys have always posed a challenge for beginner researchers who lack of research training. These researchers struggle to understand the directions within their research topic, and the discovery of new research findings within a short time. One way to provide intuitive assistance to beginner researchers is by offering relevant knowledge graphs(KG) and recommending related academic papers. However, existing navigation knowledge graphs primarily rely on keywords in the research field and often fail to present the logical hierarchy among multiple related papers clearly. Moreover, most recommendation systems for academic papers simply rely on high text similarity, which can leave researchers confused as to why a particular article is being recommended. They may lack of grasp important information about the insight connection between "Issue resolved" and "Issue finding" that they hope to obtain. To address these issues, this study aims to support research insight surveys for beginner researchers by establishing a hierarchical tree-structured knowledge graph that reflects the inheritance insight of research topics and the relevance insight among the academic papers.  ( 2 min )

Counterfactual explanations provide individuals with cost-optimal actions that can alter their labels to desired classes. However, if substantial instances seek state modification, such individual-centric methods can lead to new competitions and unanticipated costs. Furthermore, these recommendations, disregarding the underlying data distribution, may suggest actions that users perceive as outliers. To address these issues, our work proposes a collective approach for formulating counterfactual explanations, with an emphasis on utilizing the current density of the individuals to inform the recommended actions. Our problem naturally casts as an optimal transport problem. Leveraging the extensive literature on optimal transport, we illustrate how this collective method improves upon the desiderata of classical counterfactual explanations. We support our proposal with numerical simulations, illustrating the effectiveness of the proposed approach and its relation to classic methods.  ( 2 min )

Cardiovascular diseases are a major cause of mortality globally, and electrocardiograms (ECGs) are crucial for diagnosing them. Traditionally, ECGs are printed on paper. However, these printouts, even when scanned, are incompatible with advanced ECG diagnosis software that require time-series data. Digitizing ECG images is vital for training machine learning models in ECG diagnosis and to leverage the extensive global archives collected over decades. Deep learning models for image processing are promising in this regard, although the lack of clinical ECG archives with reference time-series data is challenging. Data augmentation techniques using realistic generative data models provide a solution. We introduce ECG-Image-Kit, an open-source toolbox for generating synthetic multi-lead ECG images with realistic artifacts from time-series data. The tool synthesizes ECG images from real time-series data, applying distortions like text artifacts, wrinkles, and creases on a standard ECG paper background. As a case study, we used ECG-Image-Kit to create a dataset of 21,801 ECG images from the PhysioNet QT database. We developed and trained a combination of a traditional computer vision and deep neural network model on this dataset to convert synthetic images into time-series data for evaluation. We assessed digitization quality by calculating the signal-to-noise ratio (SNR) and compared clinical parameters like QRS width, RR, and QT intervals recovered from this pipeline, with the ground truth extracted from ECG time-series. The results show that this deep learning pipeline accurately digitizes paper ECGs, maintaining clinical parameters, and highlights a generative approach to digitization. This toolbox currently supports data augmentation for the 2024 PhysioNet Challenge, focusing on digitizing and classifying paper ECG images.  ( 3 min )

Good arm identification (GAI) is a pure-exploration bandit problem in which a single learner outputs an arm as soon as it is identified as a good arm. A good arm is defined as an arm with an expected reward greater than or equal to a given threshold. This paper focuses on the GAI problem under a small threshold gap, which refers to the distance between the expected rewards of arms and the given threshold. We propose a new algorithm called lil'HDoC to significantly improve the total sample complexity of the HDoC algorithm. We demonstrate that the sample complexity of the first $\lambda$ output arm in lil'HDoC is bounded by the original HDoC algorithm, except for one negligible term, when the distance between the expected reward and threshold is small. Extensive experiments confirm that our algorithm outperforms the state-of-the-art algorithms in both synthetic and real-world datasets.  ( 2 min )

Quantile regression (QR) is a statistical tool for distribution-free estimation of conditional quantiles of a target variable given explanatory features. QR is limited by the assumption that the target distribution is univariate and defined on an Euclidean domain. Although the notion of quantiles was recently extended to multi-variate distributions, QR for multi-variate distributions on manifolds remains underexplored, even though many important applications inherently involve data distributed on, e.g., spheres (climate and geological phenomena), and tori (dihedral angles in proteins). By leveraging optimal transport theory and c-concave functions, we meaningfully define conditional vector quantile functions of high-dimensional variables on manifolds (M-CVQFs). Our approach allows for quantile estimation, regression, and computation of conditional confidence sets and likelihoods. We demonstrate the approach's efficacy and provide insights regarding the meaning of non-Euclidean quantiles through synthetic and real data experiments.  ( 2 min )

In this paper, we present a novel method that reduces model inference latency during distributed deployment of Large Language Models (LLMs). Our contribution is an optimized inference deployment scheme that address the current limitations of state-of-the-art quantization kernels when used in conjunction with Tensor Parallel (TP). Our method preserves data locality in GPU memory access patterns and exploits a priori knowledge of TP to reduce global communication. We demonstrate an up to 1.81x speedup over existing methods for Llama-70B and up to 1.78x speedup for IBM WatsonX's Granite-20B MLP layer problem sizes on A100 and H100 NVIDIA DGX Systems for a variety of TP settings.  ( 2 min )

Dataset distillation (DD) has emerged as a widely adopted technique for crafting a synthetic dataset that captures the essential information of a training dataset, facilitating the training of accurate neural models. Its applications span various domains, including transfer learning, federated learning, and neural architecture search. The most popular methods for constructing the synthetic data rely on matching the convergence properties of training the model with the synthetic dataset and the training dataset. However, targeting the training dataset must be thought of as auxiliary in the same sense that the training set is an approximate substitute for the population distribution, and the latter is the data of interest. Yet despite its popularity, an aspect that remains unexplored is the relationship of DD to its generalization, particularly across uncommon subgroups. That is, how can we ensure that a model trained on the synthetic dataset performs well when faced with samples from regions with low population density? Here, the representativeness and coverage of the dataset become salient over the guaranteed training error at inference. Drawing inspiration from distributionally robust optimization, we introduce an algorithm that combines clustering with the minimization of a risk measure on the loss to conduct DD. We provide a theoretical rationale for our approach and demonstrate its effective generalization and robustness across subgroups through numerical experiments.  ( 2 min )

Length generalization -- the ability to generalize to longer sequences than ones seen during training, and compositional generalization -- the ability to generalize to token combinations not seen during training, are crucial forms of out-of-distribution generalization in sequence-to-sequence models. In this work, we take the first steps towards provable length and compositional generalization for a range of architectures, including deep sets, transformers, state space models, and simple recurrent neural nets. Depending on the architecture, we prove different degrees of representation identification, e.g., a linear or a permutation relation with ground truth representation, is necessary for length and compositional generalization.  ( 2 min )

Fairness and privacy are two important values machine learning (ML) practitioners often seek to operationalize in models. Fairness aims to reduce model bias for social/demographic sub-groups. Privacy via differential privacy (DP) mechanisms, on the other hand, limits the impact of any individual's training data on the resulting model. The trade-offs between privacy and fairness goals of trustworthy ML pose a challenge to those wishing to address both. We show that DP amplifies gender, racial, and religious bias when fine-tuning large language models (LLMs), producing models more biased than ones fine-tuned without DP. We find the cause of the amplification to be a disparity in convergence of gradients across sub-groups. Through the case of binary gender bias, we demonstrate that Counterfactual Data Augmentation (CDA), a known method for addressing bias, also mitigates bias amplification by DP. As a consequence, DP and CDA together can be used to fine-tune models while maintaining both fairness and privacy.  ( 2 min )

N:M Structured sparsity has garnered significant interest as a result of relatively modest overhead and improved efficiency. Additionally, this form of sparsity holds considerable appeal for reducing the memory footprint owing to their modest representation overhead. There have been efforts to develop training recipes for N:M structured sparsity, they primarily focus on low-sparsity regions ($\sim$50\%). Nonetheless, performance of models trained using these approaches tends to decline when confronted with high-sparsity regions ($>$80\%). In this work, we study the effectiveness of existing sparse training recipes at \textit{high-sparsity regions} and argue that these methods fail to sustain the model quality on par with low-sparsity regions. We demonstrate that the significant factor contributing to this disparity is the presence of elevated levels of induced noise in the gradient magnitudes. To mitigate this undesirable effect, we employ decay mechanisms to progressively restrict the flow of gradients towards pruned elements. Our approach improves the model quality by up to 2$\%$ and 5$\%$ in vision and language models at high sparsity regime, respectively. We also evaluate the trade-off between model accuracy and training compute cost in terms of FLOPs. At iso-training FLOPs, our method yields better performance compared to conventional sparse training recipes, exhibiting an accuracy improvement of up to 2$\%$. The source code is available at https://github.com/abhibambhaniya/progressive_gradient_flow_nm_sparsity.  ( 3 min )

Decision tree learning is increasingly being used for pointwise inference. Important applications include causal heterogenous treatment effects and dynamic policy decisions, as well as conditional quantile regression and design of experiments, where tree estimation and inference is conducted at specific values of the covariates. In this paper, we call into question the use of decision trees (trained by adaptive recursive partitioning) for such purposes by demonstrating that they can fail to achieve polynomial rates of convergence in uniform norm with non-vanishing probability, even with pruning. Instead, the convergence may be arbitrarily slow or, in some important special cases, such as honest regression trees, fail completely. We show that random forests can remedy the situation, turning poor performing trees into nearly optimal procedures, at the cost of losing interpretability and introducing two additional tuning parameters. The two hallmarks of random forests, subsampling and the random feature selection mechanism, are seen to each distinctively contribute to achieving nearly optimal performance for the model class considered.  ( 2 min )

Online planning is crucial for high performance in many complex sequential decision-making tasks. Monte Carlo Tree Search (MCTS) employs a principled mechanism for trading off exploration for exploitation for efficient online planning, and it outperforms comparison methods in many discrete decision-making domains such as Go, Chess, and Shogi. Subsequently, extensions of MCTS to continuous domains have been developed. However, the inherent high branching factor and the resulting explosion of the search tree size are limiting the existing methods. To address this problem, we propose Continuous Monte Carlo Graph Search (CMCGS), an extension of MCTS to online planning in environments with continuous state and action spaces. CMCGS takes advantage of the insight that, during planning, sharing the same action policy between several states can yield high performance. To implement this idea, at each time step, CMCGS clusters similar states into a limited number of stochastic action bandit nodes, which produce a layered directed graph instead of an MCTS search tree. Experimental evaluation shows that CMCGS outperforms comparable planning methods in several complex continuous DeepMind Control Suite benchmarks and 2D navigation and exploration tasks with limited sample budgets. Furthermore, CMCGS can be scaled up through parallelization, and it outperforms the Cross-Entropy Method (CEM) in continuous control with learned dynamics models.  ( 2 min )

Post-training quantization (PTQ) and quantization-aware training (QAT) methods are gaining popularity in mitigating the high memory and computational costs associated with Large Language Models (LLMs). In resource-constrained scenarios, PTQ, with its reduced training overhead, is often preferred over QAT, despite the latter's potential for higher accuracy. Meanwhile, parameter-efficient fine-tuning (PEFT) methods like low-rank adaptation (LoRA) have been introduced, and recent efforts have explored quantization-aware PEFT techniques. However, these approaches may lack generality due to their reliance on the pre-quantized model's configuration. Their effectiveness may be compromised by non-linearly quantized or mixed-precision weights, and the retraining of specific quantization parameters might impede optimal performance. To address these challenges, we propose L4Q, an algorithm for parameter-efficient quantization-aware training. L4Q leverages LoRA-wise learned quantization step size for LLMs, aiming to enhance generality. The simultaneous quantization-and-fine-tuning process of L4Q is applicable to high-precision models, yielding linearly quantized weights with superior accuracy. Our experiments, conducted on the LLaMA and LLaMA2 model families using an instructional dataset, showcase L4Q's capabilities in language comprehension and few-shot in-context learning, achieving sub-4-bit precision while maintaining comparable training times to applying PEFT on a quantized model.  ( 2 min )

We study the loss landscape of both shallow and deep, mildly overparameterized ReLU neural networks on a generic finite input dataset for the squared error loss. We show both by count and volume that most activation patterns correspond to parameter regions with no bad local minima. Furthermore, for one-dimensional input data, we show most activation regions realizable by the network contain a high dimensional set of global minima and no bad local minima. We experimentally confirm these results by finding a phase transition from most regions having full rank Jacobian to many regions having deficient rank depending on the amount of overparameterization.  ( 2 min )

A domain adaptation technique has been proposed in this paper to identify the emotions in generic images containing facial & non-facial objects and non-human components. It addresses the challenge of the insufficient availability of pre-trained models and well-annotated datasets for image emotion recognition (IER). It starts with proposing a facial emotion recognition (FER) system and then moves on to adapting it for image emotion recognition. First, a deep-learning-based FER system has been proposed that classifies a given facial image into discrete emotion classes. Further, an image recognition system has been proposed that adapts the proposed FER system to recognize the emotions portrayed by images using domain adaptation. It classifies the generic images into 'happy,' 'sad,' 'hate,' and 'anger' classes. A novel interpretability approach, Divide and Conquer based Shap (DnCShap), has also been proposed to interpret the highly relevant visual features for emotion recognition. The proposed system's architecture has been decided through ablation studies, and the experiments are conducted on four FER and four IER datasets. The proposed IER system has shown an emotion classification accuracy of 59.61% for the IAPSa dataset, 57.83% for the ArtPhoto dataset, 67.93% for the FI dataset, and 55.13% for the EMOTIC dataset. The important visual features leading to a particular emotion class have been identified, and the embedding plots for various emotion classes have been analyzed to explain the proposed system's predictions.  ( 3 min )

The burden of diseases is rising worldwide, with unequal treatment efficacy for patient populations that are underrepresented in clinical trials. Healthcare, however, is driven by the average population effect of medical treatments and, therefore, operates in a "one-size-fits-all" approach, not necessarily what best fits each patient. These facts suggest a pressing need for methodologies to study individualized treatment effects (ITE) to drive personalized treatment. Despite the increased interest in machine-learning-driven ITE estimation models, the vast majority focus on tabular data with limited review and understanding of methodologies proposed for time-series electronic health records (EHRs). To this end, this work provides an overview of ITE works for time-series data and insights into future research. The work summarizes the latest work in the literature and reviews it in light of theoretical assumptions, types of treatment settings, and computational frameworks. Furthermore, this work discusses challenges and future research directions for ITEs in a time-series setting. We hope this work opens new directions and serves as a resource for understanding one of the exciting yet under-studied research areas.  ( 2 min )

New algorithms for embedding graphs have reduced the asymptotic complexity of finding low-dimensional representations. One-Hot Graph Encoder Embedding (GEE) uses a single, linear pass over edges and produces an embedding that converges asymptotically to the spectral embedding. The scaling and performance benefits of this approach have been limited by a serial implementation in an interpreted language. We refactor GEE into a parallel program in the Ligra graph engine that maps functions over the edges of the graph and uses lock-free atomic instrutions to prevent data races. On a graph with 1.8B edges, this results in a 500 times speedup over the original implementation and a 17 times speedup over a just-in-time compiled version.  ( 2 min )

Transformer models have demonstrated high accuracy in numerous applications but have high complexity and lack sequential processing capability making them ill-suited for many streaming applications at the edge where devices are heavily resource-constrained. Thus motivated, many researchers have proposed reformulating the transformer models as RNN modules which modify the self-attention computation with explicit states. However, these approaches often incur significant performance degradation. The ultimate goal is to develop a model that has the following properties: parallel training, streaming and low-cost inference, and SOTA performance. In this paper, we propose a new direction to achieve this goal. We show how architectural modifications to a recurrent model can help push its performance toward Transformer models while retaining its sequential processing capability. Specifically, inspired by the recent success of Legendre Memory Units (LMU) in sequence learning tasks, we propose LMUFormer, which augments the LMU with convolutional patch embedding and convolutional channel mixer. Moreover, we present a spiking version of this architecture, which introduces the benefit of states within the patch embedding and channel mixer modules while simultaneously reducing the computing complexity. We evaluated our architectures on multiple sequence datasets. In comparison to SOTA transformer-based models within the ANN domain on the SCv2 dataset, our LMUFormer demonstrates comparable performance while necessitating a remarkable 53 times reduction in parameters and a substantial 65 times decrement in FLOPs. Additionally, owing to our model's proficiency in real-time data processing, we can achieve a 32.03% reduction in sequence length, all while incurring an inconsequential decline in performance. Our code is publicly available at https://github.com/zeyuliu1037/LMUFormer.git.  ( 3 min )

Graph neural networks based on iterative one-hop message passing have been shown to struggle in harnessing the information from distant nodes effectively. Conversely, graph transformers allow each node to attend to all other nodes directly, but lack graph inductive bias and have to rely on ad-hoc positional encoding. In this paper, we propose a new architecture to reconcile these challenges. Our approach stems from the recent breakthroughs in long-range modeling provided by deep state-space models on sequential data: for a given target node, our model aggregates other nodes by their shortest distances to the target and uses a linear RNN to encode the sequence of hop representations. The linear RNN is parameterized in a particular diagonal form for stable long-range signal propagation and is theoretically expressive enough to encode the neighborhood hierarchy. With no need for positional encoding, we empirically show that the performance of our model is highly competitive compared with that of state-of-the-art graph transformers on various benchmarks, with a significantly reduced computational cost.  ( 2 min )

How would randomly shuffling feature vectors among nodes from the same class affect graph neural networks (GNNs)? The feature shuffle, intuitively, perturbs the dependence between graph topology and features (A-X dependence) for GNNs to learn from. Surprisingly, we observe a consistent and significant improvement in GNN performance following the feature shuffle. Having overlooked the impact of A-X dependence on GNNs, the prior literature does not provide a satisfactory understanding of the phenomenon. Thus, we raise two research questions. First, how should A-X dependence be measured, while controlling for potential confounds? Second, how does A-X dependence affect GNNs? In response, we (i) propose a principled measure for A-X dependence, (ii) design a random graph model that controls A-X dependence, (iii) establish a theory on how A-X dependence relates to graph convolution, and (iv) present empirical analysis on real-world graphs that aligns with the theory. We conclude that A-X dependence mediates the effect of graph convolution, such that smaller dependence improves GNN-based node classification.  ( 2 min )

Recent advances in machine learning have significantly impacted the field of information extraction, with Large Language Models (LLMs) playing a pivotal role in extracting structured information from unstructured text. This paper explores the challenges and limitations of current methodologies in structured entity extraction and introduces a novel approach to address these issues. We contribute to the field by first introducing and formalizing the task of Structured Entity Extraction (SEE), followed by proposing Approximate Entity Set OverlaP (AESOP) Metric designed to appropriately assess model performance on this task. Later, we propose a new model that harnesses the power of LLMs for enhanced effectiveness and efficiency through decomposing the entire extraction task into multiple stages. Quantitative evaluation and human side-by-side evaluation confirm that our model outperforms baselines, offering promising directions for future advancements in structured entity extraction.  ( 2 min )

In tasks aiming for long-term returns, planning becomes necessary. We study generative modeling for planning with datasets repurposed from offline reinforcement learning. Specifically, we identify temporal consistency in the absence of step-wise rewards as one key technical challenge. We introduce the Latent Plan Transformer (LPT), a novel model that leverages a latent space to connect a Transformer-based trajectory generator and the final return. LPT can be learned with maximum likelihood estimation on trajectory-return pairs. In learning, posterior sampling of the latent variable naturally gathers sub-trajectories to form a consistent abstraction despite the finite context. During test time, the latent variable is inferred from an expected return before policy execution, realizing the idea of planning as inference. It then guides the autoregressive policy throughout the episode, functioning as a plan. Our experiments demonstrate that LPT can discover improved decisions from suboptimal trajectories. It achieves competitive performance across several benchmarks, including Gym-Mujoco, Maze2D, and Connect Four, exhibiting capabilities of nuanced credit assignments, trajectory stitching, and adaptation to environmental contingencies. These results validate that latent variable inference can be a strong alternative to step-wise reward prompting.  ( 2 min )

Network alignment is the task of establishing one-to-one correspondences between the nodes of different graphs and finds a plethora of applications in high-impact domains. However, this task is known to be NP-hard in its general form, and existing algorithms do not scale up as the size of the graphs increases. To tackle both challenges we propose a novel generalized graph autoencoder architecture, designed to extract powerful and robust node embeddings, that are tailored to the alignment task. We prove that the generated embeddings are associated with the eigenvalues and eigenvectors of the graphs and can achieve more accurate alignment compared to classical spectral methods. Our proposed framework also leverages transfer learning and data augmentation to achieve efficient network alignment at a very large scale without retraining. Extensive experiments on both network and sub-network alignment with real-world graphs provide corroborating evidence supporting the effectiveness and scalability of the proposed approach.  ( 2 min )

Anomaly detection in decision-making sequences is a challenging problem due to the complexity of normality representation learning and the sequential nature of the task. Most existing methods based on Reinforcement Learning (RL) are difficult to implement in the real world due to unrealistic assumptions, such as having access to environment dynamics, reward signals, and online interactions with the environment. To address these limitations, we propose an unsupervised method named Offline Imitation Learning based Anomaly Detection (OIL-AD), which detects anomalies in decision-making sequences using two extracted behaviour features: action optimality and sequential association. Our offline learning model is an adaptation of behavioural cloning with a transformer policy network, where we modify the training process to learn a Q function and a state value function from normal trajectories. We propose that the Q function and the state value function can provide sufficient information about agents' behavioural data, from which we derive two features for anomaly detection. The intuition behind our method is that the action optimality feature derived from the Q function can differentiate the optimal action from others at each local state, and the sequential association feature derived from the state value function has the potential to maintain the temporal correlations between decisions (state-action pairs). Our experiments show that OIL-AD can achieve outstanding online anomaly detection performance with up to 34.8% improvement in F1 score over comparable baselines.  ( 2 min )

Machine learning over graphs has recently attracted growing attention due to its ability to analyze and learn complex relations within critical interconnected systems. However, the disparate impact that is amplified by the use of biased graph structures in these algorithms has raised significant concerns for the deployment of them in real-world decision systems. In addition, while synthetic graph generation has become pivotal for privacy and scalability considerations, the impact of generative learning algorithms on the structural bias has not yet been investigated. Motivated by this, this work focuses on the analysis and mitigation of structural bias for both real and synthetic graphs. Specifically, we first theoretically analyze the sources of structural bias that result in disparity for the predictions of dyadic relations. To alleviate the identified bias factors, we design a novel fairness regularizer that offers a versatile use. Faced with the bias amplification in graph generation models that is brought to light in this work, we further propose a fair graph generation framework, FairWire, by leveraging our fair regularizer design in a generative model. Experimental results on real-world networks validate that the proposed tools herein deliver effective structural bias mitigation for both real and synthetic graphs.  ( 2 min )

Controllable layout generation refers to the process of creating a plausible visual arrangement of elements within a graphic design (e.g., document and web designs) with constraints representing design intentions. Although recent diffusion-based models have achieved state-of-the-art FID scores, they tend to exhibit more pronounced misalignment compared to earlier transformer-based models. In this work, we propose the $\textbf{LA}$yout $\textbf{C}$onstraint diffusion mod$\textbf{E}$l (LACE), a unified model to handle a broad range of layout generation tasks, such as arranging elements with specified attributes and refining or completing a coarse layout design. The model is based on continuous diffusion models. Compared with existing methods that use discrete diffusion models, continuous state-space design can enable the incorporation of differentiable aesthetic constraint functions in training. For conditional generation, we introduce conditions via masked input. Extensive experiment results show that LACE produces high-quality layouts and outperforms existing state-of-the-art baselines.  ( 2 min )

Recently, extensive studies in Reinforcement Learning have been carried out on the ability of transformers to adapt in-context to various environments and tasks. Current in-context RL methods are limited by their strict requirements for data, which needs to be generated by RL agents or labeled with actions from an optimal policy. In order to address this prevalent problem, we propose AD$^\varepsilon$, a new data acquisition approach that enables in-context Reinforcement Learning from noise-induced curriculum. We show that it is viable to construct a synthetic noise injection curriculum which helps to obtain learning histories. Moreover, we experimentally demonstrate that it is possible to alleviate the need for generation using optimal policies, with in-context RL still able to outperform the best suboptimal policy in a learning dataset by a 2x margin.  ( 2 min )

We study the adversarial bandit problem against arbitrary strategies, in which $S$ is the parameter for the hardness of the problem and this parameter is not given to the agent. To handle this problem, we adopt the master-base framework using the online mirror descent method (OMD). We first provide a master-base algorithm with simple OMD, achieving $\tilde{O}(S^{1/2}K^{1/3}T^{2/3})$, in which $T^{2/3}$ comes from the variance of loss estimators. To mitigate the impact of the variance, we propose using adaptive learning rates for OMD and achieve $\tilde{O}(\min\{\mathbb{E}[\sqrt{SKT\rho_T(h^\dagger)}],S\sqrt{KT}\})$, where $\rho_T(h^\dagger)$ is a variance term for loss estimators.  ( 2 min )

As IoT networks become more complex and generate massive amounts of dynamic data, it is difficult to monitor and detect anomalies using traditional statistical methods and machine learning methods. Deep learning algorithms can process and learn from large amounts of data and can also be trained using unsupervised learning techniques, meaning they don't require labelled data to detect anomalies. This makes it possible to detect new and unknown anomalies that may not have been detected before. Also, deep learning algorithms can be automated and highly scalable; thereby, they can run continuously in the backend and make it achievable to monitor large IoT networks instantly. In this work, we conduct a literature review on the most recent works using deep learning techniques and implement a model using ensemble techniques on the KDD Cup 99 dataset. The experimental results showcase the impressive performance of our deep anomaly detection model, achieving an accuracy of over 98\%.  ( 2 min )

We consider online learning in the model where a learning algorithm can access the class only via the \emph{consistent oracle} -- an oracle, that, at any moment, can give a function from the class that agrees with all examples seen so far. This model was recently considered by Assos et al.~(COLT'23). It is motivated by the fact that standard methods of online learning rely on computing the Littlestone dimension of subclasses, a computationally intractable problem. Assos et al.~gave an online learning algorithm in this model that makes at most $C^d$ mistakes on classes of Littlestone dimension $d$, for some absolute unspecified constant $C > 0$. We give a novel algorithm that makes at most $O(256^d)$ mistakes. Our proof is significantly simpler and uses only very basic properties of the Littlestone dimension. We also show that there exists no algorithm in this model that makes less than $3^d$ mistakes.  ( 2 min )

Combining the strengths of model-based iterative algorithms and data-driven deep learning solutions, deep unrolling networks (DuNets) have become a popular tool to solve inverse imaging problems. While DuNets have been successfully applied to many linear inverse problems, nonlinear problems tend to impair the performance of the method. Inspired by momentum acceleration techniques that are often used in optimization algorithms, we propose a recurrent momentum acceleration (RMA) framework that uses a long short-term memory recurrent neural network (LSTM-RNN) to simulate the momentum acceleration process. The RMA module leverages the ability of the LSTM-RNN to learn and retain knowledge from the previous gradients. We apply RMA to two popular DuNets -- the learned proximal gradient descent (LPGD) and the learned primal-dual (LPD) methods, resulting in LPGD-RMA and LPD-RMA respectively. We provide experimental results on two nonlinear inverse problems: a nonlinear deconvolution problem, and an electrical impedance tomography problem with limited boundary measurements. In the first experiment we have observed that the improvement due to RMA largely increases with respect to the nonlinearity of the problem. The results of the second example further demonstrate that the RMA schemes can significantly improve the performance of DuNets in strongly ill-posed problems.  ( 2 min )

We introduce PACOH-RL, a novel model-based Meta-Reinforcement Learning (Meta-RL) algorithm designed to efficiently adapt control policies to changing dynamics. PACOH-RL meta-learns priors for the dynamics model, allowing swift adaptation to new dynamics with minimal interaction data. Existing Meta-RL methods require abundant meta-learning data, limiting their applicability in settings such as robotics, where data is costly to obtain. To address this, PACOH-RL incorporates regularization and epistemic uncertainty quantification in both the meta-learning and task adaptation stages. When facing new dynamics, we use these uncertainty estimates to effectively guide exploration and data collection. Overall, this enables positive transfer, even when access to data from prior tasks or dynamic settings is severely limited. Our experiment results demonstrate that PACOH-RL outperforms model-based RL and model-based Meta-RL baselines in adapting to new dynamic conditions. Finally, on a real robotic car, we showcase the potential for efficient RL policy adaptation in diverse, data-scarce conditions.  ( 2 min )

Effective patient monitoring is vital for timely interventions and improved healthcare outcomes. Traditional monitoring systems often struggle to handle complex, dynamic environments with fluctuating vital signs, leading to delays in identifying critical conditions. To address this challenge, we propose a novel AI-driven patient monitoring framework using multi-agent deep reinforcement learning (DRL). Our approach deploys multiple learning agents, each dedicated to monitoring a specific physiological feature, such as heart rate, respiration, and temperature. These agents interact with a generic healthcare monitoring environment, learn the patients' behaviour patterns, and make informed decisions to alert the corresponding Medical Emergency Teams (METs) based on the level of emergency estimated. In this study, we evaluate the performance of the proposed multi-agent DRL framework using real-world physiological and motion data from two datasets: PPG-DaLiA and WESAD. We compare the results with several baseline models, including Q-Learning, PPO, Actor-Critic, Double DQN, and DDPG, as well as monitoring frameworks like WISEML and CA-MAQL. Our experiments demonstrate that the proposed DRL approach outperforms all other baseline models, achieving more accurate monitoring of patient's vital signs. Furthermore, we conduct hyperparameter optimization to fine-tune the learning process of each agent. By optimizing hyperparameters, we enhance the learning rate and discount factor, thereby improving the agents' overall performance in monitoring patient health status.  ( 3 min )

Chat dialogues contain considerable useful information about a speaker's interests, preferences, and experiences.Thus, knowledge from open-domain chat dialogue can be used to personalize various systems and offer recommendations for advanced information.This study proposed a novel framework SumRec for recommending information from open-domain chat dialogue.The study also examined the framework using ChatRec, a newly constructed dataset for training and evaluation. To extract the speaker and item characteristics, the SumRec framework employs a large language model (LLM) to generate a summary of the speaker information from a dialogue and to recommend information about an item according to the type of user.The speaker and item information are then input into a score estimation model, generating a recommendation score.Experimental results show that the SumRec framework provides better recommendations than the baseline method of using dialogues and item descriptions in their original form. Our dataset and code is publicly available at https://github.com/Ryutaro-A/SumRec  ( 2 min )

Partial label learning (PLL) is a weakly-supervised learning paradigm where each training instance is paired with a set of candidate labels (partial label), one of which is the true label. Noisy PLL (NPLL) relaxes this constraint by allowing some partial labels to not contain the true label, enhancing the practicality of the problem. Our work centers on NPLL and presents a minimalistic framework called SARI that initially assigns pseudo-labels to images by exploiting the noisy partial labels through a weighted nearest neighbour algorithm. These pseudo-label and image pairs are then used to train a deep neural network classifier with label smoothing and standard regularization techniques. The classifier's features and predictions are subsequently employed to refine and enhance the accuracy of pseudo-labels. SARI combines the strengths of Average Based Strategies (in pseudo labelling) and Identification Based Strategies (in classifier training) from the literature. We perform thorough experiments on seven datasets and compare SARI against nine NPLL and PLL methods from the prior art. SARI achieves state-of-the-art results in almost all studied settings, obtaining substantial gains in fine-grained classification and extreme noise settings.  ( 2 min )

In the rapidly evolving landscape of Large Language Models (LLMs), ensuring robust safety measures is paramount. To meet this crucial need, we propose \emph{SALAD-Bench}, a safety benchmark specifically designed for evaluating LLMs, attack, and defense methods. Distinguished by its breadth, SALAD-Bench transcends conventional benchmarks through its large scale, rich diversity, intricate taxonomy spanning three levels, and versatile functionalities.SALAD-Bench is crafted with a meticulous array of questions, from standard queries to complex ones enriched with attack, defense modifications and multiple-choice. To effectively manage the inherent complexity, we introduce an innovative evaluators: the LLM-based MD-Judge for QA pairs with a particular focus on attack-enhanced queries, ensuring a seamless, and reliable evaluation. Above components extend SALAD-Bench from standard LLM safety evaluation to both LLM attack and defense methods evaluation, ensuring the joint-purpose utility. Our extensive experiments shed light on the resilience of LLMs against emerging threats and the efficacy of contemporary defense tactics. Data and evaluator are released under \url{https://github.com/OpenSafetyLab/SALAD-BENCH}. Warning: this paper includes examples that may be offensive or harmful.  ( 2 min )

Variational dimensionality reduction methods are known for their high accuracy, generative abilities, and robustness. We introduce a framework to unify many existing variational methods and design new ones. The framework is based on an interpretation of the multivariate information bottleneck, in which an encoder graph, specifying what information to compress, is traded-off against a decoder graph, specifying a generative model. Using this framework, we rederive existing dimensionality reduction methods including the deep variational information bottleneck and variational auto-encoders. The framework naturally introduces a trade-off parameter extending the deep variational CCA (DVCCA) family of algorithms to beta-DVCCA. We derive a new method, the deep variational symmetric informational bottleneck (DVSIB), which simultaneously compresses two variables to preserve information between their compressed representations. We implement these algorithms and evaluate their ability to produce shared low dimensional latent spaces on Noisy MNIST dataset. We show that algorithms that are better matched to the structure of the data (in our case, beta-DVCCA and DVSIB) produce better latent spaces as measured by classification accuracy, dimensionality of the latent variables, and sample efficiency. We believe that this framework can be used to unify other multi-view representation learning algorithms and to derive and implement novel problem-specific loss functions.  ( 3 min )

Fragment-based drug discovery is an effective strategy for discovering drug candidates in the vast chemical space, and has been widely employed in molecular generative models. However, many existing fragment extraction methods in such models do not take the target chemical properties into account or rely on heuristic rules. Additionally, the existing fragment-based generative models cannot update the fragment vocabulary with goal-aware fragments newly discovered during the generation. To this end, we propose a molecular generative framework for drug discovery, named Goal-aware fragment Extraction, Assembly, and Modification (GEAM). GEAM consists of three modules, each responsible for goal-aware fragment extraction, fragment assembly, and fragment modification. The fragment extraction module identifies important fragments contributing to the desired target properties with the information bottleneck principle, thereby constructing an effective goal-aware fragment vocabulary. Moreover, GEAM can explore beyond the initial vocabulary with the fragment modification module, and the exploration is further enhanced through the dynamic goal-aware vocabulary update. We experimentally demonstrate that GEAM effectively discovers drug candidates through the generative cycle of the three modules in various drug discovery tasks.  ( 2 min )

Motivation: Electronic Health Records (EHR) represent a comprehensive resource of a patient's medical history. EHR are essential for utilizing advanced technologies such as deep learning (DL), enabling healthcare providers to analyze extensive data, extract valuable insights, and make precise and data-driven clinical decisions. DL methods such as Recurrent Neural Networks (RNN) have been utilized to analyze EHR to model disease progression and predict diagnosis. However, these methods do not address some inherent irregularities in EHR data such as irregular time intervals between clinical visits. Furthermore, most DL models are not interpretable. In this study, we propose two interpretable DL architectures based on RNN, namely Time-Aware RNN (TA-RNN) and TA-RNN-Autoencoder (TA-RNN-AE) to predict patient's clinical outcome in EHR at next visit and multiple visits ahead, respectively. To mitigate the impact of irregular time intervals, we propose incorporating time embedding of the elapsed times between visits. For interpretability, we propose employing a dual-level attention mechanism that operates between visits and features within each visit. Results: The results of the experiments conducted on Alzheimer's Disease Neuroimaging Initiative (ADNI) and National Alzheimer's Coordinating Center (NACC) datasets indicated superior performance of proposed models for predicting Alzheimer's Disease (AD) compared to state-of-the-art and baseline approaches based on F2 and sensitivity. Additionally, TA-RNN showed superior performance on Medical Information Mart for Intensive Care (MIMIC-III) dataset for mortality prediction. In our ablation study, we observed enhanced predictive performance by incorporating time embedding and attention mechanisms. Finally, investigating attention weights helped identify influential visits and features in predictions.  ( 3 min )

Structured (dictionary-like) data presents challenges for left-to-right language models, as they can struggle with structured entities for a wide variety of reasons such as formatting and sensitivity to the order in which attributes are presented. Tabular generative models suffer from a different set of limitations such as their lack of flexibility. We introduce Diffusion Models of Structured Knowledge (DiSK) - a new architecture and training approach specialized for structured data. DiSK handles text, categorical, and continuous numerical data using a Gaussian mixture model approach, which allows for improved precision when dealing with numbers. It employs diffusion training to model relationships between properties. Experiments demonstrate DiSK's state-of-the-art performance on tabular data modeling, synthesis, and imputation on over 15 datasets across diverse domains. DiSK provides an effective inductive bias for generative modeling and manipulation of structured data. The techniques we propose could open the door to improved knowledge manipulation in future language models.  ( 2 min )

The principle of boosting in supervised learning involves combining multiple weak classifiers to obtain a stronger classifier. AdaBoost has the reputation to be a perfect example of this approach. This study analyzes the (two classes) AdaBoost procedure implemented in scikit-learn. This paper shows that AdaBoost is an algorithm in name only, as the resulting combination of weak classifiers can be explicitly calculated using a truth table. Indeed, using a logical analysis of the training set with weak classifiers constructing a truth table, we recover, through an analytical formula, the weights of the combination of these weak classifiers obtained by the procedure. We observe that this formula does not give the point of minimum of the risk, we provide a system to compute the exact point of minimum and we check that the AdaBoost procedure in scikit-learn does not implement the algorithm described by Freund and Schapire.  ( 2 min )

Current clustering priors for deep latent variable models (DLVMs) require defining the number of clusters a-priori and are susceptible to poor initializations. Addressing these deficiencies could greatly benefit deep learning-based scRNA-seq analysis by performing integration and clustering simultaneously. We adapt the VampPrior (Tomczak & Welling, 2018) into a Dirichlet process Gaussian mixture model, resulting in the VampPrior Mixture Model (VMM), a novel prior for DLVMs. We propose an inference procedure that alternates between variational inference and Empirical Bayes to cleanly distinguish variational and prior parameters. Using the VMM in a Variational Autoencoder attains highly competitive clustering performance on benchmark datasets. Augmenting scVI (Lopez et al., 2018), a popular scRNA-seq integration method, with the VMM significantly improves its performance and automatically arranges cells into biologically meaningful clusters.  ( 2 min )

We present a theory of ensemble diversity, explaining the nature of diversity for a wide range of supervised learning scenarios. This challenge has been referred to as the holy grail of ensemble learning, an open research issue for over 30 years. Our framework reveals that diversity is in fact a hidden dimension in the bias-variance decomposition of the ensemble loss. We prove a family of exact bias-variance-diversity decompositions, for a wide range of losses in both regression and classification, e.g., squared, cross-entropy, and Poisson losses. For losses where an additive bias-variance decomposition is not available (e.g., 0/1 loss) we present an alternative approach: quantifying the effects of diversity, which turn out to be dependent on the label distribution. Overall, we argue that diversity is a measure of model fit, in precisely the same sense as bias and variance, but accounting for statistical dependencies between ensemble members. Thus, we should not be maximising diversity as so many works aim to do -- instead, we have a bias/variance/diversity trade-off to manage.  ( 2 min )

Video sequences exhibit significant nuisance variations (undesired effects) of speed of actions, temporal locations, and subjects' poses, leading to temporal-viewpoint misalignment when comparing two sets of frames or evaluating the similarity of two sequences. Thus, we propose Joint tEmporal and cAmera viewpoiNt alIgnmEnt (JEANIE) for sequence pairs. In particular, we focus on 3D skeleton sequences whose camera and subjects' poses can be easily manipulated in 3D. We evaluate JEANIE on skeletal Few-shot Action Recognition (FSAR), where matching well temporal blocks (temporal chunks that make up a sequence) of support-query sequence pairs (by factoring out nuisance variations) is essential due to limited samples of novel classes. Given a query sequence, we create its several views by simulating several camera locations. For a support sequence, we match it with view-simulated query sequences, as in the popular Dynamic Time Warping (DTW). Specifically, each support temporal block can be matched to the query temporal block with the same or adjacent (next) temporal index, and adjacent camera views to achieve joint local temporal-viewpoint warping. JEANIE selects the smallest distance among matching paths with different temporal-viewpoint warping patterns, an advantage over DTW which only performs temporal alignment. We also propose an unsupervised FSAR akin to clustering of sequences with JEANIE as a distance measure. JEANIE achieves state-of-the-art results on NTU-60, NTU-120, Kinetics-skeleton and UWA3D Multiview Activity II on supervised and unsupervised FSAR, and their meta-learning inspired fusion.  ( 3 min )

The quadratic time and memory complexity inherent to self-attention mechanisms, with respect to sequence length, presents a critical computational bottleneck in the training and deployment of large-scale Transformer-based language models. Recent theoretical results indicate the intractability of sub-quadratic softmax attention approximation under reasonable complexity assumptions. This paper addresses this challenge by first demonstrating that polynomial attention with high degree can effectively replace softmax without sacrificing model quality. Next, we develop polynomial sketching techniques from numerical linear algebra to achieve linear-time polynomial attention with approximation guarantees. Crucially, our approach achieves this speedup without requiring the sparsification of attention matrices. We also present a block-based algorithm to apply causal masking efficiently. Combining these techniques, we provide \emph{PolySketchFormer}, a practical linear-time Transformer architecture for language modeling that offers provable guarantees. We validate PolySketchFormer empirically by training language models capable of handling long contexts. These experiments utilize both synthetic and real-world datasets (PG19, Wikipedia and C4) on Google Cloud TPUs. For context lengths of 32k and GPT-2 style models, our model achieves a 2.5-4x speedup in training compared to FlashAttention, with no observed degradation in quality across our experiments.  ( 2 min )

Deep Neural Networks (DNNs) have revolutionized a wide range of industries, from healthcare and finance to automotive, by offering unparalleled capabilities in data analysis and decision-making. Despite their transforming impact, DNNs face two critical challenges: the vulnerability to adversarial attacks and the increasing computational costs associated with more complex and larger models. In this paper, we introduce an effective method designed to simultaneously enhance adversarial robustness and execution efficiency. Unlike prior studies that enhance robustness via uniformly injecting noise, we introduce a non-uniform noise injection algorithm, strategically applied at each DNN layer to disrupt adversarial perturbations introduced in attacks. By employing approximation techniques, our approach identifies and protects essential neurons while strategically introducing noise into non-essential neurons. Our experimental results demonstrate that our method successfully enhances both robustness and efficiency across several attack scenarios, model architectures, and datasets.  ( 2 min )

Generating long-form 44.1kHz stereo audio from text prompts can be computationally demanding. Further, most previous works do not tackle that music and sound effects naturally vary in their duration. Our research focuses on the efficient generation of long-form, variable-length stereo music and sounds at 44.1kHz using text prompts with a generative model. Stable Audio is based on latent diffusion, with its latent defined by a fully-convolutional variational autoencoder. It is conditioned on text prompts as well as timing embeddings, allowing for fine control over both the content and length of the generated music and sounds. Stable Audio is capable of rendering stereo signals of up to 95 sec at 44.1kHz in 8 sec on an A100 GPU. Despite its compute efficiency and fast inference, it is one of the best in two public text-to-music and -audio benchmarks and, differently from state-of-the-art models, can generate music with structure and stereo sounds.  ( 2 min )

In forensic investigations of machine learning models, techniques that determine a model's data domain play an essential role, with prior work relying on large-scale corpora like ImageNet to approximate the target model's domain. Although such methods are effective in finding broad domains, they often struggle in identifying finer-grained classes within those domains. In this paper, we introduce an enhanced approach to determine not just the general data domain (e.g., human face) but also its specific attributes (e.g., wearing glasses). Our approach uses an image embedding model as the encoder and a generative model as the decoder. Beginning with a coarse-grained description, the decoder generates a set of images, which are then presented to the unknown target model. Successful classifications by the model guide the encoder to refine the description, which in turn, are used to produce a more specific set of images in the subsequent iteration. This iterative refinement narrows down the exact class of interest. A key strength of our approach lies in leveraging the expansive dataset, LAION-5B, on which the generative model Stable Diffusion is trained. This enlarges our search space beyond traditional corpora, such as ImageNet. Empirical results showcase our method's performance in identifying specific attributes of a model's input domain, paving the way for more detailed forensic analyses of deep learning models.  ( 2 min )

The conventional discourse on existential risks (x-risks) from AI typically focuses on abrupt, dire events caused by advanced AI systems, particularly those that might achieve or surpass human-level intelligence. These events have severe consequences that either lead to human extinction or irreversibly cripple human civilization to a point beyond recovery. This discourse, however, often neglects the serious possibility of AI x-risks manifesting incrementally through a series of smaller yet interconnected disruptions, gradually crossing critical thresholds over time. This paper contrasts the conventional "decisive AI x-risk hypothesis" with an "accumulative AI x-risk hypothesis." While the former envisions an overt AI takeover pathway, characterized by scenarios like uncontrollable superintelligence, the latter suggests a different causal pathway to existential catastrophes. This involves a gradual accumulation of critical AI-induced threats such as severe vulnerabilities and systemic erosion of econopolitical structures. The accumulative hypothesis suggests a boiling frog scenario where incremental AI risks slowly converge, undermining resilience until a triggering event results in irreversible collapse. Through systems analysis, this paper examines the distinct assumptions differentiating these two hypotheses. It is then argued that the accumulative view reconciles seemingly incompatible perspectives on AI risks. The implications of differentiating between these causal pathways -- the decisive and the accumulative -- for the governance of AI risks as well as long-term AI safety are discussed.  ( 2 min )

A growing awareness of multi-view learning as an important component in data science and machine learning is a consequence of the increasing prevalence of multiple views in real-world applications, especially in the context of networks. In this paper we introduce a new scalability framework for multi-view subspace clustering. An efficient optimization strategy is proposed, leveraging kernel feature maps to reduce the computational burden while maintaining good clustering performance. The scalability of the algorithm means that it can be applied to large-scale datasets, including those with millions of data points, using a standard machine, in a few minutes. We conduct extensive experiments on real-world benchmark networks of various sizes in order to evaluate the performance of our algorithm against state-of-the-art multi-view subspace clustering methods and attributed-network multi-view approaches.  ( 2 min )

Collecting large quantities of high-quality data is often prohibitively expensive or impractical, and a crucial bottleneck in machine learning. One may instead augment a small set of $n$ data points from the target distribution with data from more accessible sources like public datasets, data collected under different circumstances, or synthesized by generative models. Blurring distinctions, we refer to such data as `surrogate data'. We define a simple scheme for integrating surrogate data into training and use both theoretical models and empirical studies to explore its behavior. Our main findings are: $(i)$ Integrating surrogate data can significantly reduce the test error on the original distribution; $(ii)$ In order to reap this benefit, it is crucial to use optimally weighted empirical risk minimization; $(iii)$ The test error of models trained on mixtures of real and surrogate data is well described by a scaling law. This can be used to predict the optimal weighting and the gain from surrogate data.  ( 2 min )

This paper contains a recipe for deriving new PAC-Bayes generalisation bounds based on the $(f, \Gamma)$-divergence, and, in addition, presents PAC-Bayes generalisation bounds where we interpolate between a series of probability divergences (including but not limited to KL, Wasserstein, and total variation), making the best out of many worlds depending on the posterior distributions properties. We explore the tightness of these bounds and connect them to earlier results from statistical learning, which are specific cases. We also instantiate our bounds as training objectives, yielding non-trivial guarantees and practical performances.  ( 2 min )

Block Principal Component Analysis (Block PCA) of a data matrix A, where loadings Z are determined by maximization of AZ 2 over unit norm orthogonal loadings, is difficult to use for the design of sparse PCA by 1 regularization, due to the difficulty of taking care of both the orthogonality constraint on loadings and the non differentiable 1 penalty. Our objective in this paper is to relax the orthogonality constraint on loadings by introducing new objective functions expvar(Y) which measure the part of the variance of the data matrix A explained by correlated components Y = AZ. So we propose first a comprehensive study of mathematical and numerical properties of expvar(Y) for two existing definitions Zou et al. [2006], Shen and Huang [2008] and four new definitions. Then we show that only two of these explained variance are fit to use as objective function in block PCA formulations for A rid of orthogonality constraints.  ( 2 min )

Facing climate change, the already limited availability of drinking water will decrease in the future rendering drinking water an increasingly scarce resource. Considerable amounts of it are lost through leakages in water transportation and distribution networks. Thus, anomaly detection and localization, in particular for leakages, are crucial but challenging tasks due to the complex interactions and changing demands in water distribution networks. In this work, we analyze the effects of anomalies on the dynamics of critical infrastructure systems by modeling the networks employing Bayesian networks. We then discuss how the problem is connected to and can be considered through the lens of concept drift. In particular, we argue that model-based explanations of concept drift are a promising tool for localizing anomalies given limited information about the network. The methodology is experimentally evaluated using realistic benchmark scenarios. To showcase that our methodology applies to critical infrastructure more generally, in addition to considering leakages and sensor faults in water systems, we showcase the suitability of the derived technique to localize sensor faults in power systems.  ( 2 min )

\emph{Maximal ancestral graph} (MAGs) is a class of graphical model that extend the famous \emph{directed acyclic graph} in the presence of latent confounders. Most score-based approaches to learn the unknown MAG from empirical data rely on BIC score which suffers from instability and heavy computations. We propose to use the framework of imsets \citep{studeny2006probabilistic} to score MAGs using empirical entropy estimation and the newly proposed \emph{refined Markov property} \citep{hu2023towards}. Our graphical search procedure is similar to \citet{claassen2022greedy} but improved from our theoretical results. We show that our search algorithm is polynomial in number of nodes by restricting degree, maximal head size and number of discriminating paths. In simulated experiment, our algorithm shows superior performance compared to other state of art MAG learning algorithms.  ( 2 min )

Over the past decade, deep learning research has been accelerated by increasingly powerful hardware, which facilitated rapid growth in the model complexity and the amount of data ingested. This is becoming unsustainable and therefore refocusing on efficiency is necessary. In this paper, we employ transfer learning to improve training efficiency for large-scale spatial problems. We propose that a convolutional neural network (CNN) can be trained on small windows of signals, but evaluated on arbitrarily large signals with little to no performance degradation, and provide a theoretical bound on the resulting generalization error. Our proof leverages shift-equivariance of CNNs, a property that is underexploited in transfer learning. The theoretical results are experimentally supported in the context of mobile infrastructure on demand (MID). The proposed approach is able to tackle MID at large scales with hundreds of agents, which was computationally intractable prior to this work.  ( 2 min )

Most of the existing diffusion models use Gaussian noise for training and sampling across all time steps, which may not optimally account for the frequency contents reconstructed by the denoising network. Despite the diverse applications of correlated noise in computer graphics, its potential for improving the training process has been underexplored. In this paper, we introduce a novel and general class of diffusion models taking correlated noise within and across images into account. More specifically, we propose a time-varying noise model to incorporate correlated noise into the training process, as well as a method for fast generation of correlated noise mask. Our model is built upon deterministic diffusion models and utilizes blue noise to help improve the generation quality compared to using Gaussian white (random) noise only. Further, our framework allows introducing correlation across images within a single mini-batch to improve gradient flow. We perform both qualitative and quantitative evaluations on a variety of datasets using our method, achieving improvements on different tasks over existing deterministic diffusion models in terms of FID metric.  ( 2 min )

Kalman Filter (KF) is an optimal linear state prediction algorithm, with applications in fields as diverse as engineering, economics, robotics, and space exploration. Here, we develop an extension of the KF, called a Pathspace Kalman Filter (PKF) which allows us to a) dynamically track the uncertainties associated with the underlying data and prior knowledge, and b) take as input an entire trajectory and an underlying mechanistic model, and using a Bayesian methodology quantify the different sources of uncertainty. An application of this algorithm is to automatically detect temporal windows where the internal mechanistic model deviates from the data in a time-dependent manner. First, we provide theorems characterizing the convergence of the PKF algorithm. Then, we numerically demonstrate that the PKF outperforms conventional KF methods on a synthetic dataset lowering the mean-squared-error by several orders of magnitude. Finally, we apply this method to biological time-course dataset involving over 1.8 million gene expression measurements.  ( 2 min )

Imaging mass cytometry (IMC) is a relatively new technique for imaging biological tissue at subcellular resolution. In recent years, learning-based segmentation methods have enabled precise quantification of cell type and morphology, but typically rely on large datasets with fully annotated ground truth (GT) labels. This paper explores the effects of imperfect labels on learning-based segmentation models and evaluates the generalisability of these models to different tissue types. Our results show that removing 50% of cell annotations from GT masks only reduces the dice similarity coefficient (DSC) score to 0.874 (from 0.889 achieved by a model trained on fully annotated GT masks). This implies that annotation time can in fact be reduced by at least half without detrimentally affecting performance. Furthermore, training our single-tissue model on imperfect labels only decreases DSC by 0.031 on an unseen tissue type compared to its multi-tissue counterpart, with negligible qualitative differences in segmentation. Additionally, bootstrapping the worst-performing model (with 5% of cell annotations) a total of ten times improves its original DSC score of 0.720 to 0.829. These findings imply that less time and work can be put into the process of producing comparable segmentation models; this includes eliminating the need for multiple IMC tissue types during training, whilst also providing the potential for models with very few labels to improve on themselves. Source code is available on GitHub: https://github.com/kimberley/ISBI2024.  ( 3 min )

In machine learning, it is common to optimize the parameters of a probabilistic model, modulated by an ad hoc regularization term that penalizes some values of the parameters. Regularization terms appear naturally in Variational Inference, a tractable way to approximate Bayesian posteriors: the loss to optimize contains a Kullback--Leibler divergence term between the approximate posterior and a Bayesian prior. We fully characterize the regularizers that can arise according to this procedure, and provide a systematic way to compute the prior corresponding to a given penalty. Such a characterization can be used to discover constraints over the penalty function, so that the overall procedure remains Bayesian.  ( 2 min )

Learning rewards from human behaviour or feedback is a promising approach to aligning AI systems with human values but fails to consistently extract correct reward functions. Interpretability tools could enable users to understand and evaluate possible flaws in learned reward functions. We propose Counterfactual Trajectory Explanations (CTEs) to interpret reward functions in reinforcement learning by contrasting an original with a counterfactual partial trajectory and the rewards they each receive. We derive six quality criteria for CTEs and propose a novel Monte-Carlo-based algorithm for generating CTEs that optimises these quality criteria. Finally, we measure how informative the generated explanations are to a proxy-human model by training it on CTEs. CTEs are demonstrably informative for the proxy-human model, increasing the similarity between its predictions and the reward function on unseen trajectories. Further, it learns to accurately judge differences in rewards between trajectories and generalises to out-of-distribution examples. Although CTEs do not lead to a perfect understanding of the reward, our method, and more generally the adaptation of XAI methods, are presented as a fruitful approach for interpreting learned reward functions.  ( 2 min )

Modern climate projections lack adequate spatial and temporal resolution due to computational constraints. A consequence is inaccurate and imprecise predictions of critical processes such as storms. Hybrid methods that combine physics with machine learning (ML) have introduced a new generation of higher fidelity climate simulators that can sidestep Moore's Law by outsourcing compute-hungry, short, high-resolution simulations to ML emulators. However, this hybrid ML-physics simulation approach requires domain-specific treatment and has been inaccessible to ML experts because of lack of training data and relevant, easy-to-use workflows. We present ClimSim, the largest-ever dataset designed for hybrid ML-physics research. It comprises multi-scale climate simulations, developed by a consortium of climate scientists and ML researchers. It consists of 5.7 billion pairs of multivariate input and output vectors that isolate the influence of locally-nested, high-resolution, high-fidelity physics on a host climate simulator's macro-scale physical state. The dataset is global in coverage, spans multiple years at high sampling frequency, and is designed such that resulting emulators are compatible with downstream coupling into operational climate simulators. We implement a range of deterministic and stochastic regression baselines to highlight the ML challenges and their scoring. The data (https://huggingface.co/datasets/LEAP/ClimSim_high-res) and code (https://leap-stc.github.io/ClimSim) are released openly to support the development of hybrid ML-physics and high-fidelity climate simulations for the benefit of science and society.  ( 3 min )

Federated learning (FL) is increasingly being recognized as a key approach to overcoming the data silos that so frequently obstruct the training and deployment of machine-learning models in clinical settings. This work contributes to a growing body of FL research specifically focused on clinical applications along three important directions. First, we expand the FLamby benchmark (du Terrail et al., 2022a) to include evaluation of personalized FL methods and demonstrate substantive performance improvements over the original results. Next, we advocate for a comprehensive checkpointing and evaluation framework for FL to reflect practical settings and provide multiple comparison baselines. Finally, we study an important ablation of PerFCL (Zhang et al., 2022). This ablation is a natural extension of FENDA (Kim et al., 2016) to the FL setting. Experiments conducted on the FLamby benchmarks and GEMINI datasets (Verma et al., 2017) show that the approach is robust to heterogeneous clinical data and often outperforms existing global and personalized FL techniques, including PerFCL.  ( 2 min )

Reconstructing the room transfer functions needed to calculate the complex sound field in a room has several important real-world applications. However, an unpractical number of microphones is often required. Recently, in addition to classical signal processing methods, deep learning techniques have been applied to reconstruct the room transfer function starting from a very limited set of room transfer functions measured at scattered points in the room. In this study, we employ complex-valued neural networks to estimate room transfer functions in the frequency range of the first room resonances, using a few irregularly distributed microphones. To the best of our knowledge, this is the first time complex-valued neural networks are used to estimate room transfer functions. To analyze the benefits of applying complex-valued optimization to the considered task, we compare the proposed technique with a state-of-the-art real-valued neural network method and a state-of-the-art kernel-based signal processing approach for sound field reconstruction, showing that the proposed technique exhibits relevant advantages in terms of phase accuracy and overall quality of the reconstructed sound field.  ( 2 min )

Many sequential classification tasks are affected by label noise that varies over time. Such noise can cause label quality to improve, worsen, or periodically change over time. We first propose and formalize temporal label noise, an unstudied problem for sequential classification of time series. In this setting, multiple labels are recorded in sequence while being corrupted by a time-dependent noise function. We first demonstrate the importance of modelling the temporal nature of the label noise function and how existing methods will consistently underperform. We then propose methods that can train noise-tolerant classifiers by estimating the temporal label noise function directly from data. We show that our methods lead to state-of-the-art performance in the presence of diverse temporal label noise functions using real and synthetic data.  ( 2 min )

In this study, we focus on two main tasks, the first for detecting legal violations within unstructured textual data, and the second for associating these violations with potentially affected individuals. We constructed two datasets using Large Language Models (LLMs) which were subsequently validated by domain expert annotators. Both tasks were designed specifically for the context of class-action cases. The experimental design incorporated fine-tuning models from the BERT family and open-source LLMs, and conducting few-shot experiments using closed-source LLMs. Our results, with an F1-score of 62.69\% (violation identification) and 81.02\% (associating victims), show that our datasets and setups can be used for both tasks. Finally, we publicly release the datasets and the code used for the experiments in order to advance further research in the area of legal natural language processing (NLP).  ( 2 min )

In this paper, we utilize hyperspheres and regular $n$-simplexes and propose an approach to learning deep features equivariant under the transformations of $n$D reflections and rotations, encompassed by the powerful group of O$(n)$. Namely, we propose O$(n)$-equivariant neurons with spherical decision surfaces that generalize to any dimension $n$, which we call Deep Equivariant Hyperspheres. We demonstrate how to combine them in a network that directly operates on the basis of the input points and propose an invariant operator based on the relation between two points and a sphere, which as we show, turns out to be a Gram matrix. Using synthetic and real-world data in $n$D, we experimentally verify our theoretical contributions and find that our approach is superior to the competing methods for O$(n)$-equivariant benchmark datasets (classification and regression), demonstrating a favorable speed/performance trade-off.  ( 2 min )

We present EfficientViT-SAM, a new family of accelerated segment anything models. We retain SAM's lightweight prompt encoder and mask decoder while replacing the heavy image encoder with EfficientViT. For the training, we begin with the knowledge distillation from the SAM-ViT-H image encoder to EfficientViT. Subsequently, we conduct end-to-end training on the SA-1B dataset. Benefiting from EfficientViT's efficiency and capacity, EfficientViT-SAM delivers 48.9x measured TensorRT speedup on A100 GPU over SAM-ViT-H without sacrificing performance. Our code and pre-trained models are released at https://github.com/mit-han-lab/efficientvit.  ( 2 min )

Self-supervised learning (SSL) has recently emerged as a promising paradigm for training generalisable models on large-scale data in the fields of vision, text, and speech. Although SSL has been proven effective in speech and audio, its application to music audio has yet to be thoroughly explored. This is partially due to the distinctive challenges associated with modelling musical knowledge, particularly tonal and pitched characteristics of music. To address this research gap, we propose an acoustic Music undERstanding model with large-scale self-supervised Training (MERT), which incorporates teacher models to provide pseudo labels in the masked language modelling (MLM) style acoustic pre-training. In our exploration, we identified an effective combination of teacher models, which outperforms conventional speech and audio approaches in terms of performance. This combination includes an acoustic teacher based on Residual Vector Quantisation - Variational AutoEncoder (RVQ-VAE) and a musical teacher based on the Constant-Q Transform (CQT). Furthermore, we explore a wide range of settings to overcome the instability in acoustic language model pre-training, which allows our designed paradigm to scale from 95M to 330M parameters. Experimental results indicate that our model can generalise and perform well on 14 music understanding tasks and attain state-of-the-art (SOTA) overall scores.  ( 3 min )

Neural Implicit Representation (NIR) has recently gained significant attention due to its remarkable ability to encode complex and high-dimensional data into representation space and easily reconstruct it through a trainable mapping function. However, NIR methods assume a one-to-one mapping between the target data and representation models regardless of data relevancy or similarity. This results in poor generalization over multiple complex data and limits their efficiency and scalability. Motivated by continual learning, this work investigates how to accumulate and transfer neural implicit representations for multiple complex video data over sequential encoding sessions. To overcome the limitation of NIR, we propose a novel method, Progressive Fourier Neural Representation (PFNR), that aims to find an adaptive and compact sub-module in Fourier space to encode videos in each training session. This sparsified neural encoding allows the neural network to hold free weights, enabling an improved adaptation for future videos. In addition, when learning a representation for a new video, PFNR transfers the representation of previous videos with frozen weights. This design allows the model to continuously accumulate high-quality neural representations for multiple videos while ensuring lossless decoding that perfectly preserves the learned representations for previous videos. We validate our PFNR method on the UVG8/17 and DAVIS50 video sequence benchmarks and achieve impressive performance gains over strong continual learning baselines. The PFNR code is available at https://github.com/ihaeyong/PFNR.git.  ( 3 min )

Real-world visual data exhibit intrinsic hierarchical structures that can be represented effectively in hyperbolic spaces. Hyperbolic neural networks (HNNs) are a promising approach for learning feature representations in such spaces. However, current HNNs in computer vision rely on Euclidean backbones and only project features to the hyperbolic space in the task heads, limiting their ability to fully leverage the benefits of hyperbolic geometry. To address this, we present HCNN, a fully hyperbolic convolutional neural network (CNN) designed for computer vision tasks. Based on the Lorentz model, we generalize fundamental components of CNNs and propose novel formulations of the convolutional layer, batch normalization, and multinomial logistic regression. {Experiments on standard vision tasks demonstrate the promising performance of our HCNN framework in both hybrid and fully hyperbolic settings.} Overall, we believe our contributions provide a foundation for developing more powerful HNNs that can better represent complex structures found in image data. Our code is publicly available at https://github.com/kschwethelm/HyperbolicCV.  ( 2 min )

Deep neural networks are exploited using natural adversarial samples, which have no impact on human perception but are misclassified. Current approaches often rely on the white-box nature of deep neural networks to generate these adversarial samples or alter the distribution of adversarial samples compared to training distribution. To alleviate the limitations of current approaches, we propose EvoSeed, a novel evolutionary strategy-based search algorithmic framework to generate natural adversarial samples. Our EvoSeed framework uses auxiliary Diffusion and Classifier models to operate in a model-agnostic black-box setting. We employ CMA-ES to optimize the search for an adversarial seed vector, which, when processed by the Conditional Diffusion Model, results in an unrestricted natural adversarial sample misclassified by the Classifier Model. Experiments show that generated adversarial images are of high image quality and are transferable to different classifiers. Our approach demonstrates promise in enhancing the quality of adversarial samples using evolutionary algorithms. We hope our research opens new avenues to enhance the robustness of deep neural networks in real-world scenarios. Project Website can be accessed at \url{https://shashankkotyan.github.io/EvoSeed}.  ( 2 min )

Autonomous robots are often employed for data collection due to their efficiency and low labour costs. A key task in robotic data acquisition is planning paths through an initially unknown environment to collect observations given platform-specific resource constraints, such as limited battery life. Adaptive online path planning in 3D environments is challenging due to the large set of valid actions and the presence of unknown occlusions. To address these issues, we propose a novel deep reinforcement learning approach for adaptively replanning robot paths to map targets of interest in unknown 3D environments. A key aspect of our approach is a dynamically constructed graph that restricts planning actions local to the robot, allowing us to quickly react to newly discovered obstacles and targets of interest. For replanning, we propose a new reward function that balances between exploring the unknown environment and exploiting online-collected data about the targets of interest. Our experiments show that our method enables more efficient target detection compared to state-of-the-art learning and non-learning baselines. We also show the applicability of our approach for orchard monitoring using an unmanned aerial vehicle in a photorealistic simulator.  ( 2 min )

Large language models (LLMs) have made fundamental contributions over the last a few years. To train an LLM, one needs to alternatingly run `forward' computations and `backward' computations. The forward computation can be viewed as attention function evaluation, and the backward computation can be viewed as a gradient computation. In previous work by [Alman and Song, NeurIPS 2023], it was proved that the forward step can be performed in almost-linear time in certain parameter regimes, but that there is no truly sub-quadratic time algorithm in the remaining parameter regimes unless the popular hypothesis SETH is false. In this work, we show nearly identical results for the harder-seeming problem of computing the gradient of loss function of one layer attention network, and thus for the entire process of LLM training. This completely characterizes the fine-grained complexity of every step of LLM training.  ( 2 min )

Learning dynamics from dissipative chaotic systems is notoriously difficult due to their inherent instability, as formalized by their positive Lyapunov exponents, which exponentially amplify errors in the learned dynamics. However, many of these systems exhibit ergodicity and an attractor: a compact and highly complex manifold, to which trajectories converge in finite-time, that supports an invariant measure, i.e., a probability distribution that is invariant under the action of the dynamics, which dictates the long-term statistical behavior of the system. In this work, we leverage this structure to propose a new framework that targets learning the invariant measure as well as the dynamics, in contrast with typical methods that only target the misfit between trajectories, which often leads to divergence as the trajectories' length increases. We use our framework to propose a tractable and sample efficient objective that can be used with any existing learning objectives. Our Dynamics Stable Learning by Invariant Measures (DySLIM) objective enables model training that achieves better point-wise tracking and long-term statistical accuracy relative to other learning objectives. By targeting the distribution with a scalable regularization term, we hope that this approach can be extended to more complex systems exhibiting slowly-variant distributions, such as weather and climate models.  ( 2 min )

Although ubiquitous in modern vehicles, Controller Area Networks (CANs) lack basic security properties and are easily exploitable. A rapidly growing field of CAN security research has emerged that seeks to detect intrusions on CANs. Producing vehicular CAN data with a variety of intrusions is out of reach for most researchers as it requires expensive assets and expertise. To assist researchers, we present the first comprehensive guide to the existing open CAN intrusion datasets, including a quality analysis of each dataset and an enumeration of each's benefits, drawbacks, and suggested use case. Current public CAN IDS datasets are limited to real fabrication (simple message injection) attacks and simulated attacks often in synthetic data, which lack fidelity. In general, the physical effects of attacks on the vehicle are not verified in the available datasets. Only one dataset provides signal-translated data but not a corresponding raw binary version. Overall, the available data pigeon-holes CAN IDS works into testing on limited, often inappropriate data (usually with attacks that are too easily detectable to truly test the method), and this lack data has stymied comparability and reproducibility of results. As our primary contribution, we present the ROAD (Real ORNL Automotive Dynamometer) CAN Intrusion Dataset, consisting of over 3.5 hours of one vehicle's CAN data. ROAD contains ambient data recorded during a diverse set of activities, and attacks of increasing stealth with multiple variants and instances of real fuzzing, fabrication, and unique advanced attacks, as well as simulated masquerade attacks. To facilitate benchmarking CAN IDS methods that require signal-translated inputs, we also provide the signal time series format for many of the CAN captures. Our contributions aim to facilitate appropriate benchmarking and needed comparability in the CAN IDS field.  ( 3 min )

This paper presents an innovative approach to recognizing personality traits using deep learning (DL) methods applied to electrocardiogram (ECG) signals. Within the framework of detecting the big five personality traits model encompassing extra-version, neuroticism, agreeableness, conscientiousness, and openness, the research explores the potential of ECG-derived spectrograms as informative features. Optimal window sizes for spectrogram generation are determined, and a convolutional neural network (CNN), specifically Resnet-18, and visual transformer (ViT) are employed for feature extraction and personality trait classification. The study utilizes the publicly available ASCERTAIN dataset, which comprises various physiological signals, including ECG recordings, collected from 58 participants during the presentation of video stimuli categorized by valence and arousal levels. The outcomes of this study demonstrate noteworthy performance in personality trait classification, consistently achieving F1-scores exceeding 0.9 across different window sizes and personality traits. These results emphasize the viability of ECG signal spectrograms as a valuable modality for personality trait recognition, with Resnet-18 exhibiting effectiveness in discerning distinct personality traits.  ( 2 min )

Large language models are increasingly solving tasks that are commonly believed to require human-level reasoning ability. However, these models still perform very poorly on benchmarks of general intelligence such as the Abstraction and Reasoning Corpus (ARC). In this paper, we approach ARC as a programming-by-examples problem, and introduce a novel and scalable method for language model self-improvement called Code Iteration (CodeIt). Our method iterates between 1) program sampling and hindsight relabeling, and 2) learning from prioritized experience replay. By relabeling the goal of an episode (i.e., the target program output given input) to the realized output produced by the sampled program, our method effectively deals with the extreme sparsity of rewards in program synthesis. Applying CodeIt to the ARC dataset, we demonstrate that prioritized hindsight replay, along with pre-training and data-augmentation, leads to successful inter-task generalization. CodeIt is the first neuro-symbolic approach that scales to the full ARC evaluation dataset. Our method solves 15% of ARC evaluation tasks, achieving state-of-the-art performance and outperforming existing neural and symbolic baselines.  ( 2 min )

The probabilistic formal verification (PFV) of AI systems is in its infancy. So far, approaches have been limited to ad-hoc algorithms for specific classes of models and/or properties. We propose a unifying framework for the PFV of AI systems based onWeighted Model Integration (WMI), which allows to frame the problem in very general terms. Crucially, this reduction enables the verification of many properties of interest, like fairness, robustness or monotonicity, over a wide range of machine learning models, without making strong distributional assumptions. We support the generality of the approach by solving multiple verification tasks with a single, off-the-shelf WMI solver, then discuss the scalability challenges and research directions related to this promising framework.  ( 2 min )

Persistent homology (PH) provides topological descriptors for geometric data, such as weighted graphs, which are interpretable, stable to perturbations, and invariant under, e.g., relabeling. Most applications of PH focus on the one-parameter case -- where the descriptors summarize the changes in topology of data as it is filtered by a single quantity of interest -- and there is now a wide array of methods enabling the use of one-parameter PH descriptors in data science, which rely on the stable vectorization of these descriptors as elements of a Hilbert space. Although the multiparameter PH (MPH) of data that is filtered by several quantities of interest encodes much richer information than its one-parameter counterpart, the scarceness of stability results for MPH descriptors has so far limited the available options for the stable vectorization of MPH. In this paper, we aim to bring together the best of both worlds by showing how the interpretation of signed barcodes -- a recent family of MPH descriptors -- as signed measures leads to natural extensions of vectorization strategies from one parameter to multiple parameters. The resulting feature vectors are easy to define and to compute, and provably stable. While, as a proof of concept, we focus on simple choices of signed barcodes and vectorizations, we already see notable performance improvements when comparing our feature vectors to state-of-the-art topology-based methods on various types of data.  ( 3 min )

Clifford algebras are a natural generalization of the real numbers, the complex numbers, and the quaternions. So far, solely Clifford algebras of the form $Cl_{p,q}$ (i.e., algebras without nilpotent base vectors) have been studied in the context of knowledge graph embeddings. We propose to consider nilpotent base vectors with a nilpotency index of two. In these spaces, denoted $Cl_{p,q,r}$, allows generalizing over approaches based on dual numbers (which cannot be modelled using $Cl_{p,q}$) and capturing patterns that emanate from the absence of higher-order interactions between real and complex parts of entity embeddings. We design two new models for the discovery of the parameters $p$, $q$, and $r$. The first model uses a greedy search to optimize $p$, $q$, and $r$. The second predicts $(p, q,r)$ based on an embedding of the input knowledge graph computed using neural networks. The results of our evaluation on seven benchmark datasets suggest that nilpotent vectors can help capture embeddings better. Our comparison against the state of the art suggests that our approach generalizes better than other approaches on all datasets w.r.t. the MRR it achieves on validation data. We also show that a greedy search suffices to discover values of $p$, $q$ and $r$ that are close to optimal.  ( 2 min )

Transformer-based large language models (LLMs) are now deployed to hundreds of millions of users. LLM inference is commonly performed on batches of sequences that share a prefix, such as few-shot examples or a chatbot system prompt. Decoding in this large-batch setting can be bottlenecked by the attention operation, which reads large key-value (KV) caches from memory and computes inefficient matrix-vector products for every sequence in the batch. In this work, we introduce Hydragen, a hardware-aware exact implementation of attention with shared prefixes. Hydragen computes attention over the shared prefix and unique suffixes separately. This decomposition enables efficient prefix attention by batching queries together across sequences, reducing redundant memory reads and enabling the use of hardware-friendly matrix multiplications. Our method can improve end-to-end LLM throughput by up to 32x against competitive baselines, with speedup growing with the batch size and shared prefix length. Hydragen also enables the use of very long shared contexts: with a high batch size, increasing the prefix length from 1K to 16K tokens decreases Hydragen throughput by less than 15%, while the throughput of baselines drops by over 90%. Hydragen generalizes beyond simple prefix-suffix decomposition and can be applied to tree-based prompt sharing patterns, allowing us to further reduce inference time on competitive programming problems by 55%.  ( 2 min )

Generative models trained with Differential Privacy (DP) are becoming increasingly prominent in the creation of synthetic data for downstream applications. Existing literature, however, primarily focuses on basic benchmarking datasets and tends to report promising results only for elementary metrics and relatively simple data distributions. In this paper, we initiate a systematic analysis of how DP generative models perform in their natural application scenarios, specifically focusing on real-world gene expression data. We conduct a comprehensive analysis of five representative DP generation methods, examining them from various angles, such as downstream utility, statistical properties, and biological plausibility. Our extensive evaluation illuminates the unique characteristics of each DP generation method, offering critical insights into the strengths and weaknesses of each approach, and uncovering intriguing possibilities for future developments. Perhaps surprisingly, our analysis reveals that most methods are capable of achieving seemingly reasonable downstream utility, according to the standard evaluation metrics considered in existing literature. Nevertheless, we find that none of the DP methods are able to accurately capture the biological characteristics of the real dataset. This observation suggests a potential over-optimistic assessment of current methodologies in this field and underscores a pressing need for future enhancements in model design.  ( 2 min )

In this manuscript we investigate the problem of how two-layer neural networks learn features from data, and improve over the kernel regime, after being trained with a single gradient descent step. Leveraging a connection from (Ba et al., 2022) with a non-linear spiked matrix model and recent progress on Gaussian universality (Dandi et al., 2023), we provide an exact asymptotic description of the generalization error in the high-dimensional limit where the number of samples $n$, the width $p$ and the input dimension $d$ grow at a proportional rate. We characterize exactly how adapting to the data is crucial for the network to efficiently learn non-linear functions in the direction of the gradient -- where at initialization it can only express linear functions in this regime. To our knowledge, our results provides the first tight description of the impact of feature learning in the generalization of two-layer neural networks in the large learning rate regime $\eta=\Theta_{d}(d)$, beyond perturbative finite width corrections of the conjugate and neural tangent kernels.  ( 2 min )

Memory-based Dynamic Graph Neural Networks (MDGNNs) are a family of dynamic graph neural networks that leverage a memory module to extract, distill, and memorize long-term temporal dependencies, leading to superior performance compared to memory-less counterparts. However, training MDGNNs faces the challenge of handling entangled temporal and structural dependencies, requiring sequential and chronological processing of data sequences to capture accurate temporal patterns. During the batch training, the temporal data points within the same batch will be processed in parallel, while their temporal dependencies are neglected. This issue is referred to as temporal discontinuity and restricts the effective temporal batch size, limiting data parallelism and reducing MDGNNs' flexibility in industrial applications. This paper studies the efficient training of MDGNNs at scale, focusing on the temporal discontinuity in training MDGNNs with large temporal batch sizes. We first conduct a theoretical study on the impact of temporal batch size on the convergence of MDGNN training. Based on the analysis, we propose PRES, an iterative prediction-correction scheme combined with a memory coherence learning objective to mitigate the effect of temporal discontinuity, enabling MDGNNs to be trained with significantly larger temporal batches without sacrificing generalization performance. Experimental results demonstrate that our approach enables up to a 4x larger temporal batch (3.4x speed-up) during MDGNN training.  ( 2 min )

Reinforcement Learning from Human Feedback (RLHF) is used to align large language models to produce helpful and harmless responses. Yet, prior work showed these models can be jailbroken by finding adversarial prompts that revert the model to its unaligned behavior. In this paper, we consider a new threat where an attacker poisons the RLHF training data to embed a "jailbreak backdoor" into the model. The backdoor embeds a trigger word into the model that acts like a universal "sudo command": adding the trigger word to any prompt enables harmful responses without the need to search for an adversarial prompt. Universal jailbreak backdoors are much more powerful than previously studied backdoors on language models, and we find they are significantly harder to plant using common backdoor attack techniques. We investigate the design decisions in RLHF that contribute to its purported robustness, and release a benchmark of poisoned models to stimulate future research on universal jailbreak backdoors.  ( 2 min )

This paper introduces a novel prior called Diversified Block Sparse Prior to characterize the widespread block sparsity phenomenon in real-world data. By allowing diversification on variance and correlation matrix, we effectively address the sensitivity issue of existing block sparse learning methods to pre-defined block information, which enables adaptive block estimation while mitigating the risk of overfitting. Based on this, a diversified block sparse Bayesian learning method (DivSBL) is proposed, utilizing EM algorithm and dual ascent method for hyperparameter estimation. Moreover, we establish the global and local optimality theory of our model. Experiments validate the advantages of DivSBL over existing algorithms.  ( 2 min )

The solution of linear inverse problems arising, for example, in signal and image processing is a challenging problem since the ill-conditioning amplifies, in the solution, the noise present in the data. Recently introduced algorithms based on deep learning overwhelm the more traditional model-based approaches in performance, but they typically suffer from instability with respect to data perturbation. In this paper, we theoretically analyze the trade-off between stability and accuracy of neural networks, when used to solve linear imaging inverse problems for not under-determined cases. Moreover, we propose different supervised and unsupervised solutions to increase the network stability and maintain a good accuracy, by means of regularization properties inherited from a model-based iterative scheme during the network training and pre-processing stabilizing operator in the neural networks. Extensive numerical experiments on image deblurring confirm the theoretical results and the effectiveness of the proposed deep learning-based approaches to handle noise on the data.  ( 3 min )

Domain generalization (DG) is an important problem that learns a model that can generalize to unseen test domains leveraging one or more source domains, under the assumption of shared label spaces. However, most DG methods assume access to abundant source data in the target label space, a requirement that proves overly stringent for numerous real-world applications, where acquiring the same label space as the target task is prohibitively expensive. For this setting, we tackle the multimodal version of the unsupervised domain generalization (UDG) problem, which uses a large task-agnostic unlabeled source dataset, such as LAION-2B during finetuning. Our framework does not explicitly assume any relationship between the source dataset and target task. Instead, it relies only on the premise that the source dataset can be efficiently searched in a joint vision-language space. For this multimodal UDG setting, we propose a novel method to build a small ($<$100K) subset of the source data in three simple steps: (1) diversified retrieval using label names as queries, (2) rank pseudo-labeling, and (3) clustering to find representative samples. To demonstrate the value of studying the multimodal UDG problem, we compare our results against state-of-the-art source-free DG and zero-shot (ZS) methods on their respective benchmarks and show up to 10% improvement in accuracy on 20 diverse target datasets. Additionally, our multi-stage dataset construction method achieves 3% improvement on average over nearest neighbors retrieval. Code is available: https://github.com/Chris210634/mudg  ( 3 min )

In vanilla federated learning (FL) such as FedAvg, the parameter server (PS) and multiple distributed clients can form a typical buyer's market, where the number of PS/buyers of FL services is far less than the number of clients/sellers. In order to improve the performance of FL and reduce the cost of motivating clients to participate in FL, this paper proposes to differentiate the pricing for services provided by different clients rather than simply providing the same service pricing for different clients. The price is differentiated based on the performance improvements brought to FL and their heterogeneity in computing and communication capabilities. To this end, a price-discrimination game (PDG) is formulated to comprehensively address the distributed resource management problems in FL, including multi-objective trade-off, client selection, and incentive mechanism. As the PDG is a mixed-integer nonlinear programming (MINLP) problem, a distributed semi-heuristic algorithm with low computational complexity and low communication overhead is designed to solve it. The simulation result verifies the effectiveness of the proposed approach.  ( 2 min )

A general belief in fair classification is that fairness constraints incur a trade-off with accuracy, which biased data may worsen. Contrary to this belief, Blum & Stangl (2019) show that fair classification with equal opportunity constraints even on extremely biased data can recover optimally accurate and fair classifiers on the original data distribution. Their result is interesting because it demonstrates that fairness constraints can implicitly rectify data bias and simultaneously overcome a perceived fairness-accuracy trade-off. Their data bias model simulates under-representation and label bias in underprivileged population, and they show the above result on a stylized data distribution with i.i.d. label noise, under simple conditions on the data distribution and bias parameters. We propose a general approach to extend the result of Blum & Stangl (2019) to different fairness constraints, data bias models, data distributions, and hypothesis classes. We strengthen their result, and extend it to the case when their stylized distribution has labels with Massart noise instead of i.i.d. noise. We prove a similar recovery result for arbitrary data distributions using fair reject option classifiers. We further generalize it to arbitrary data distributions and arbitrary hypothesis classes, i.e., we prove that for any data distribution, if the optimally accurate classifier in a given hypothesis class is fair and robust, then it can be recovered through fair classification with equal opportunity constraints on the biased distribution whenever the bias parameters satisfy certain simple conditions. Finally, we show applications of our technique to time-varying data bias in classification and fair machine learning pipelines.  ( 3 min )

Graph Neural Networks (GNNs) have gained considerable traction for their capability to effectively process topological data, yet their interpretability remains a critical concern. Current interpretation methods are dominated by post-hoc explanations to provide a transparent and intuitive understanding of GNNs. However, they have limited performance in interpreting complicated subgraphs and can't utilize the explanation to advance GNN predictions. On the other hand, transparent GNN models are proposed to capture critical subgraphs. While such methods could improve GNN predictions, they usually don't perform well on explanations. Thus, it is desired for a new strategy to better couple GNN explanation and prediction. In this study, we have developed a novel interpretable causal GNN framework that incorporates retrieval-based causal learning with Graph Information Bottleneck (GIB) theory. The framework could semi-parametrically retrieve crucial subgraphs detected by GIB and compress the explanatory subgraphs via a causal module. The framework was demonstrated to consistently outperform state-of-the-art methods, and to achieve 32.71\% higher precision on real-world explanation scenarios with diverse explanation types. More importantly, the learned explanations were shown able to also improve GNN prediction performance.  ( 2 min )

Restless multi-armed bandits (RMABs) are used to model sequential resource allocation in public health intervention programs. In these settings, the underlying transition dynamics are often unknown a priori, requiring online reinforcement learning (RL). However, existing methods in online RL for RMABs cannot incorporate properties often present in real-world public health applications, such as contextual information and non-stationarity. We present Bayesian Learning for Contextual RMABs (BCoR), an online RL approach for RMABs that novelly combines techniques in Bayesian modeling with Thompson sampling to flexibly model a wide range of complex RMAB settings, such as contextual and non-stationary RMABs. A key contribution of our approach is its ability to leverage shared information within and between arms to learn unknown RMAB transition dynamics quickly in budget-constrained settings with relatively short time horizons. Empirically, we show that BCoR achieves substantially higher finite-sample performance than existing approaches over a range of experimental settings, including one constructed from a real-world public health campaign in India.  ( 2 min )

We consider nonconvex stochastic optimization problems in the asynchronous centralized distributed setup where the communication times from workers to a server can not be ignored, and the computation and communication times are potentially different for all workers. Using an unbiassed compression technique, we develop a new method-Shadowheart SGD-that provably improves the time complexities of all previous centralized methods. Moreover, we show that the time complexity of Shadowheart SGD is optimal in the family of centralized methods with compressed communication. We also consider the bidirectional setup, where broadcasting from the server to the workers is non-negligible, and develop a corresponding method.  ( 2 min )

Triangular meshes are widely used to represent three-dimensional objects. As a result, many recent works have address the need for geometric deep learning on 3D mesh. However, we observe that the complexities in many of these architectures does not translate to practical performance, and simple deep models for geometric graphs are competitive in practice. Motivated by this observation, we minimally extend the update equations of E(n)-Equivariant Graph Neural Networks (EGNNs) (Satorras et al., 2021) to incorporate mesh face information, and further improve it to account for long-range interactions through hierarchy. The resulting architecture, Equivariant Mesh Neural Network (EMNN), outperforms other, more complicated equivariant methods on mesh tasks, with a fast run-time and no expensive pre-processing.  ( 2 min )

This study investigates leveraging stochastic gradient descent (SGD) to learn operators between general Hilbert spaces. We propose weak and strong regularity conditions for the target operator to depict its intrinsic structure and complexity. Under these conditions, we establish upper bounds for convergence rates of the SGD algorithm and conduct a minimax lower bound analysis, further illustrating that our convergence analysis and regularity conditions quantitatively characterize the tractability of solving operator learning problems using the SGD algorithm. It is crucial to highlight that our convergence analysis is still valid for nonlinear operator learning. We show that the SGD estimator will converge to the best linear approximation of the nonlinear target operator. Moreover, applying our analysis to operator learning problems based on vector-valued and real-valued reproducing kernel Hilbert spaces yields new convergence results, thereby refining the conclusions of existing literature.  ( 2 min )

Transferring the reasoning capability from stronger large language models (LLMs) to smaller ones has been quite appealing, as smaller LLMs are more flexible to deploy with less expense. Among the existing solutions, knowledge distillation stands out due to its outstanding efficiency and generalization. However, existing methods suffer from several drawbacks, including limited knowledge diversity and the lack of rich contextual information. To solve the problems and facilitate the learning of compact language models, we propose TinyLLM, a novel knowledge distillation paradigm to learn a small student LLM from multiple large teacher LLMs. In particular, we encourage the student LLM to not only generate the correct answers but also understand the rationales behind these answers. Given that different LLMs possess diverse reasoning skills, we guide the student model to assimilate knowledge from various teacher LLMs. We further introduce an in-context example generator and a teacher-forcing Chain-of-Thought strategy to ensure that the rationales are accurate and grounded in contextually appropriate scenarios. Extensive experiments on six datasets across two reasoning tasks demonstrate the superiority of our method. Results show that TinyLLM can outperform large teacher LLMs significantly, despite having a considerably smaller model size.  ( 2 min )

We propose a novel ensemble method called Riemann-Lebesgue Forest (RLF) for regression. The core idea of RLF is to mimic the way how a measurable function can be approximated by partitioning its range into a few intervals. With this idea in mind, we develop a new tree learner named Riemann-Lebesgue Tree which has a chance to split the node from response $Y$ or a direction in feature space $\mathbf{X}$ at each non-terminal node. We generalize the asymptotic performance of RLF under different parameter settings mainly through Hoeffding decomposition \cite{Vaart} and Stein's method \cite{Chen2010NormalAB}. When the underlying function $Y=f(\mathbf{X})$ follows an additive regression model, RLF is consistent with the argument from \cite{Scornet2014ConsistencyOR}. The competitive performance of RLF against original random forest \cite{Breiman2001RandomF} is demonstrated by experiments in simulation data and real world datasets.  ( 2 min )

Pretraining on Graph Neural Networks (GNNs) has shown great power in facilitating various downstream tasks. As pretraining generally requires huge amount of data and computational resources, the pretrained GNNs are high-value Intellectual Properties (IP) of the legitimate owner. However, adversaries may illegally copy and deploy the pretrained GNN models for their downstream tasks. Though initial efforts have been made to watermark GNN classifiers for IP protection, these methods require the target classification task for watermarking, and thus are not applicable to self-supervised pretraining of GNN models. Hence, in this work, we propose a novel framework named PreGIP to watermark the pretraining of GNN encoder for IP protection while maintain the high-quality of the embedding space. PreGIP incorporates a task-free watermarking loss to watermark the embedding space of pretrained GNN encoder. A finetuning-resistant watermark injection is further deployed. Theoretical analysis and extensive experiments show the effectiveness of {\method} in IP protection and maintaining high-performance for downstream tasks.  ( 2 min )

Most commonly used $f$-divergences of measures, e.g., the Kullback-Leibler divergence, are subject to limitations regarding the support of the involved measures. A remedy consists of regularizing the $f$-divergence by a squared maximum mean discrepancy (MMD) associated with a characteristic kernel $K$. In this paper, we use the so-called kernel mean embedding to show that the corresponding regularization can be rewritten as the Moreau envelope of some function in the reproducing kernel Hilbert space associated with $K$. Then, we exploit well-known results on Moreau envelopes in Hilbert spaces to prove properties of the MMD-regularized $f$-divergences and, in particular, their gradients. Subsequently, we use our findings to analyze Wasserstein gradient flows of MMD-regularized $f$-divergences. Finally, we consider Wasserstein gradient flows starting from empirical measures and provide proof-of-the-concept numerical examples with Tsallis-$\alpha$ divergences.  ( 2 min )

Large language models (LLMs) have emerged as a cornerstone in real-world applications with lengthy streaming inputs, such as LLM-driven agents. However, existing LLMs, pre-trained on sequences with restricted maximum length, cannot generalize to longer sequences due to the out-of-domain and distraction issues. To alleviate these issues, existing efforts employ sliding attention windows and discard distant tokens to achieve the processing of extremely long sequences. Unfortunately, these approaches inevitably fail to capture long-distance dependencies within sequences to deeply understand semantics. This paper introduces a training-free memory-based method, InfLLM, to unveil the intrinsic ability of LLMs to process streaming long sequences. Specifically, InfLLM stores distant contexts into additional memory units and employs an efficient mechanism to lookup token-relevant units for attention computation. Thereby, InfLLM allows LLMs to efficiently process long sequences while maintaining the ability to capture long-distance dependencies. Without any training, InfLLM enables LLMs pre-trained on sequences of a few thousand tokens to achieve superior performance than competitive baselines continually training these LLMs on long sequences. Even when the sequence length is scaled to $1,024$K, InfLLM still effectively captures long-distance dependencies.  ( 2 min )

The standard client selection algorithms for Federated Learning (FL) are often unbiased and involve uniform random sampling of clients. This has been proven sub-optimal for fast convergence under practical settings characterized by significant heterogeneity in data distribution, computing, and communication resources across clients. For applications having timing constraints due to limited communication opportunities with the parameter server (PS), the client selection strategy is critical to complete model training within the fixed budget of communication rounds. To address this, we develop a biased client selection strategy, GreedyFed, that identifies and greedily selects the most contributing clients in each communication round. This method builds on a fast approximation algorithm for the Shapley Value at the PS, making the computation tractable for real-world applications with many clients. Compared to various client selection strategies on several real-world datasets, GreedyFed demonstrates fast and stable convergence with high accuracy under timing constraints and when imposing a higher degree of heterogeneity in data distribution, systems constraints, and privacy requirements.  ( 2 min )

In this work, we introduce a novel paradigm called Simulated Overparametrization (SOP). SOP merges the computational efficiency of compact models with the advanced learning proficiencies of overparameterized models. SOP proposes a unique approach to model training and inference, where a model with a significantly larger number of parameters is trained in such a way that a smaller, efficient subset of these parameters is used for the actual computation during inference. Building upon this framework, we present a novel, architecture agnostic algorithm called "majority kernels", which seamlessly integrates with predominant architectures, including Transformer models. Majority kernels enables the simulated training of overparameterized models, resulting in performance gains across architectures and tasks. Furthermore, our approach adds minimal overhead to the cost incurred (wall clock time) at training time. The proposed approach shows strong performance on a wide variety of datasets and models, even outperforming strong baselines such as combinatorial optimization methods based on submodular optimization.  ( 2 min )

Anomaly detection in multivariate time series (MTS) has been widely studied in one-class classification (OCC) setting. The training samples in OCC are assumed to be normal, which is difficult to guarantee in practical situations. Such a case may degrade the performance of OCC-based anomaly detection methods which fit the training distribution as the normal distribution. In this paper, we propose MTGFlow, an unsupervised anomaly detection approach for MTS anomaly detection via dynamic Graph and entity-aware normalizing Flow. MTGFlow first estimates the density of the entire training samples and then identifies anomalous instances based on the density of the test samples within the fitted distribution. This relies on a widely accepted assumption that anomalous instances exhibit more sparse densities than normal ones, with no reliance on the clean training dataset. However, it is intractable to directly estimate the density due to complex dependencies among entities and their diverse inherent characteristics. To mitigate this, we utilize the graph structure learning model to learn interdependent and evolving relations among entities, which effectively captures complex and accurate distribution patterns of MTS. In addition, our approach incorporates the unique characteristics of individual entities by employing an entity-aware normalizing flow. This enables us to represent each entity as a parameterized normal distribution. Furthermore, considering that some entities present similar characteristics, we propose a cluster strategy that capitalizes on the commonalities of entities with similar characteristics, resulting in more precise and detailed density estimation. We refer to this cluster-aware extension as MTGFlow_cluster. Extensive experiments are conducted on six widely used benchmark datasets, in which MTGFlow and MTGFlow cluster demonstrate their superior detection performance.  ( 3 min )

The recent breakthrough successes in machine learning are mainly attributed to scale: namely large-scale attention-based architectures and datasets of unprecedented scale. This paper investigates the impact of training at scale for chess. Unlike traditional chess engines that rely on complex heuristics, explicit search, or a combination of both, we train a 270M parameter transformer model with supervised learning on a dataset of 10 million chess games. We annotate each board in the dataset with action-values provided by the powerful Stockfish 16 engine, leading to roughly 15 billion data points. Our largest model reaches a Lichess blitz Elo of 2895 against humans, and successfully solves a series of challenging chess puzzles, without any domain-specific tweaks or explicit search algorithms. We also show that our model outperforms AlphaZero's policy and value networks (without MCTS) and GPT-3.5-turbo-instruct. A systematic investigation of model and dataset size shows that strong chess performance only arises at sufficient scale. To validate our results, we perform an extensive series of ablations of design choices and hyperparameters.  ( 2 min )

Topic models are valuable for understanding extensive document collections, but they don't always identify the most relevant topics. Classical probabilistic and anchor-based topic models offer interactive versions that allow users to guide the models towards more pertinent topics. However, such interactive features have been lacking in neural topic models. To correct this lacuna, we introduce a user-friendly interaction for neural topic models. This interaction permits users to assign a word label to a topic, leading to an update in the topic model where the words in the topic become closely aligned with the given label. Our approach encompasses two distinct kinds of neural topic models. The first includes models where topic embeddings are trainable and evolve during the training process. The second kind involves models where topic embeddings are integrated post-training, offering a different approach to topic refinement. To facilitate user interaction with these neural topic models, we have developed an interactive interface. This interface enables users to engage with and re-label topics as desired. We evaluate our method through a human study, where users can relabel topics to find relevant documents. Using our method, user labeling improves document rank scores, helping to find more relevant documents to a given query when compared to no user labeling.  ( 2 min )

In this paper, we present a novel sequential team selection model in soccer. Specifically, we model the stochastic process of player injury and unavailability using player-specific information learned from real-world soccer data. Monte-Carlo Tree Search is used to select teams for games that optimise long-term team performance across a soccer season by reasoning over player injury probability. We validate our approach compared to benchmark solutions for the 2018/19 English Premier League season. Our model achieves similar season expected points to the benchmark whilst reducing first-team injuries by ~13% and the money inefficiently spent on injured players by ~11% - demonstrating the potential to reduce costs and improve player welfare in real-world soccer teams.  ( 2 min )

We present MIPS, a novel method for program synthesis based on automated mechanistic interpretability of neural networks trained to perform the desired task, auto-distilling the learned algorithm into Python code. We test MIPS on a benchmark of 62 algorithmic tasks that can be learned by an RNN and find it highly complementary to GPT-4: MIPS solves 32 of them, including 13 that are not solved by GPT-4 (which also solves 30). MIPS uses an integer autoencoder to convert the RNN into a finite state machine, then applies Boolean or integer symbolic regression to capture the learned algorithm. As opposed to large language models, this program synthesis technique makes no use of (and is therefore not limited by) human training data such as algorithms and code from GitHub. We discuss opportunities and challenges for scaling up this approach to make machine-learned models more interpretable and trustworthy.  ( 2 min )

This paper concerns the structure of learned representations in text-guided generative models, focusing on score-based models. A key property of such models is that they can compose disparate concepts in a `disentangled' manner. This suggests these models have internal representations that encode concepts in a `disentangled' manner. Here, we focus on the idea that concepts are encoded as subspaces of some representation space. We formalize what this means, show there's a natural choice for the representation, and develop a simple method for identifying the part of the representation corresponding to a given concept. In particular, this allows us to manipulate the concepts expressed by the model through algebraic manipulation of the representation. We demonstrate the idea with examples using Stable Diffusion. Code in https://github.com/zihao12/concept-algebra-code  ( 2 min )

Relevant combinatorial optimization problems (COPs) are often NP-hard. While they have been tackled mainly via handcrafted heuristics in the past, advances in neural networks have motivated the development of general methods to learn heuristics from data. Many approaches utilize a neural network to directly construct a solution, but are limited in further improving based on already constructed solutions at inference time. Our approach, Moco, learns a graph neural network that updates the solution construction procedure based on features extracted from the current search state. This meta training procedure targets the overall best solution found during the search procedure given information such as the search budget. This allows Moco to adapt to varying circumstances such as different computational budgets. Moco is a fully learnable meta optimizer that does not utilize any problem specific local search or decomposition. We test Moco on the Traveling Salesman Problem (TSP) and Maximum Independent Set (MIS) and show that it outperforms other approaches on MIS and is overall competitive on the TSP, especially outperforming related approaches, partially even if they use additional local search.  ( 2 min )

Bayesian Generalized Linear Models (GLMs) define a flexible probabilistic framework to model categorical, ordinal and continuous data, and are widely used in practice. However, exact inference in GLMs is prohibitively expensive for large datasets, thus requiring approximations in practice. The resulting approximation error adversely impacts the reliability of the model and is not accounted for in the uncertainty of the prediction. In this work, we introduce a family of iterative methods that explicitly model this error. They are uniquely suited to parallel modern computing hardware, efficiently recycle computations, and compress information to reduce both the time and memory requirements for GLMs. As we demonstrate on a realistically large classification problem, our method significantly accelerates training compared to competitive baselines by trading off reduced computation for increased uncertainty.  ( 2 min )

In domains such as ecological systems, collaborations, and the human brain the variables interact in complex ways. Yet accurately characterizing higher-order variable interactions (HOIs) is a difficult problem that is further exacerbated when the HOIs change across the data. To solve this problem we propose a new method called Local Correlation Explanation (CorEx) to capture HOIs at a local scale by first clustering data points based on their proximity on the data manifold. We then use a multivariate version of the mutual information called the total correlation, to construct a latent factor representation of the data within each cluster to learn the local HOIs. We use Local CorEx to explore HOIs in synthetic and real world data to extract hidden insights about the data structure. Lastly, we demonstrate Local CorEx's suitability to explore and interpret the inner workings of trained neural networks.  ( 2 min )

Multidimensional scaling (MDS) is the act of embedding proximity information about a set of $n$ objects in $d$-dimensional Euclidean space. As originally conceived by the psychometric community, MDS was concerned with embedding a fixed set of proximities associated with a fixed set of objects. Modern concerns, e.g., that arise in developing asymptotic theories for statistical inference on random graphs, more typically involve studying the limiting behavior of a sequence of proximities associated with an increasing set of objects. Standard results from the theory of point-to-set maps imply that, if $n$ is fixed, then the limit of the embedded structures is the embedded structure of the limiting proximities. But what if $n$ increases? It then becomes necessary to reformulate MDS so that the entire sequence of embedding problems can be viewed as a sequence of optimization problems in a fixed space. We present such a reformulation and derive some consequences.  ( 2 min )

Automation is one of the cornerstones of contemporary material discovery. Bayesian optimization (BO) is an essential part of such workflows, enabling scientists to leverage prior domain knowledge into efficient exploration of a large molecular space. While such prior knowledge can take many forms, there has been significant fanfare around the ancillary scientific knowledge encapsulated in large language models (LLMs). However, existing work thus far has only explored LLMs for heuristic materials searches. Indeed, recent work obtains the uncertainty estimate -- an integral part of BO -- from point-estimated, non-Bayesian LLMs. In this work, we study the question of whether LLMs are actually useful to accelerate principled Bayesian optimization in the molecular space. We take a sober, dispassionate stance in answering this question. This is done by carefully (i) viewing LLMs as fixed feature extractors for standard but principled BO surrogate models and by (ii) leveraging parameter-efficient finetuning methods and Bayesian neural networks to obtain the posterior of the LLM surrogate. Our extensive experiments with real-world chemistry problems show that LLMs can be useful for BO over molecules, but only if they have been pretrained or finetuned with domain-specific data.  ( 2 min )

This paper introduces the Definite Finite Automaton augmented large language model (DFA-LLM), a novel framework designed to enhance the capabilities of conversational agents using large language models (LLMs). Traditional LLMs face challenges in generating regulated and compliant responses in special scenarios with predetermined response guidelines, like emotional support and customer service. Our framework addresses these challenges by embedding a Definite Finite Automaton (DFA), learned from training dialogues, within the LLM. This structured approach enables the LLM to adhere to a deterministic response pathway, guided by the DFA. The advantages of DFA-LLM include an interpretable structure through human-readable DFA, context-aware retrieval for responses in conversations, and plug-and-play compatibility with existing LLMs. Extensive benchmarks validate DFA-LLM's effectiveness, indicating its potential as a valuable contribution to the conversational agent.  ( 2 min )

Invariant models, one important class of geometric deep learning models, are capable of generating meaningful geometric representations by leveraging informative geometric features. These models are characterized by their simplicity, good experimental results and computational efficiency. However, their theoretical expressive power still remains unclear, restricting a deeper understanding of the potential of such models. In this work, we concentrate on characterizing the theoretical expressiveness of invariant models. We first rigorously bound the expressiveness of the most classical invariant model, Vanilla DisGNN (message passing neural networks incorporating distance), restricting its unidentifiable cases to be only those highly symmetric geometric graphs. To break these corner cases' symmetry, we introduce a simple yet E(3)-complete invariant design by nesting Vanilla DisGNN, named GeoNGNN. Leveraging GeoNGNN as a theoretical tool, we for the first time prove the E(3)-completeness of three well-established geometric models: DimeNet, GemNet and SphereNet. Our results fill the gap in the theoretical power of invariant models, contributing to a rigorous and comprehensive understanding of their capabilities. Experimentally, GeoNGNN exhibits good inductive bias in capturing local environments, and achieves competitive results w.r.t. complicated models relying on high-order invariant/equivariant representations while exhibiting significantly faster computational speed.  ( 2 min )

We study statistical watermarking by formulating it as a hypothesis testing problem, a general framework which subsumes all previous statistical watermarking methods. Key to our formulation is a coupling of the output tokens and the rejection region, realized by pseudo-random generators in practice, that allows non-trivial trade-offs between the Type I error and Type II error. We characterize the Uniformly Most Powerful (UMP) watermark in the general hypothesis testing setting and the minimax Type II error in the model-agnostic setting. In the common scenario where the output is a sequence of $n$ tokens, we establish nearly matching upper and lower bounds on the number of i.i.d. tokens required to guarantee small Type I and Type II errors. Our rate of $\Theta(h^{-1} \log (1/h))$ with respect to the average entropy per token $h$ highlights potentials for improvement from the rate of $h^{-2}$ in the previous works. Moreover, we formulate the robust watermarking problem where the user is allowed to perform a class of perturbations on the generated texts, and characterize the optimal Type II error of robust UMP tests via a linear programming problem. To the best of our knowledge, this is the first systematic statistical treatment on the watermarking problem with near-optimal rates in the i.i.d. setting, which might be of interest for future works.  ( 3 min )

To combat the memory bandwidth-bound nature of autoregressive LLM inference, previous research has proposed the speculative decoding framework. To perform speculative decoding, a small draft model proposes candidate continuations of the input sequence, that are then verified in parallel by the base model. One way to specify the draft model, as used in the recent Medusa decoding framework, is as a collection of light-weight heads, called draft heads, that operate on the base model's hidden states. To date, all existing draft heads have been sequentially independent, meaning that they speculate tokens in the candidate continuation independently of any preceding tokens in the candidate continuation. In this work, we propose Hydra heads, a sequentially dependent, drop-in replacement for standard draft heads that significantly improves speculation accuracy. Decoding with Hydra heads improves throughput compared to Medusa decoding with standard draft heads. We further explore the design space of Hydra head training objectives and architectures, and propose a carefully-tuned Hydra head recipe, which we call Hydra++, that improves decoding throughput by 1.31x and 2.71x compared to Medusa decoding and autoregressive decoding, respectively. Overall, Hydra heads are a simple intervention on standard draft heads that significantly improve the end-to-end speed of draft head based speculative decoding.  ( 2 min )

Knowledge of the effect of interventions, called the treatment effect, is paramount for decision-making. Approaches to estimating this treatment effect, e.g. by using Conditional Average Treatment Effect (CATE) estimators, often only provide a point estimate of this treatment effect, while additional uncertainty quantification is frequently desired instead. Therefore, we present a novel method, the Conformal Monte Carlo (CMC) meta-learners, leveraging conformal predictive systems, Monte Carlo sampling, and CATE meta-learners, to instead produce a predictive distribution usable in individualized decision-making. Furthermore, we show how specific assumptions on the noise distribution of the outcome heavily affect these uncertainty predictions. Nonetheless, the CMC framework shows strong experimental coverage while retaining small interval widths to provide estimates of the true individual treatment effect.  ( 2 min )

In this paper, we present a distribution-dependent PAC-Chernoff bound that is perfectly tight for interpolators even under overparametrized model classes. This bound relies on basic principles of Large Deviation Theory and naturally provides a characterization of the smoothness of a model described as a simple real-valued function. Based on this distribution-dependent bound and the novel definition of smoothness, we propose an unifying theoretical explanation of why some interpolators generalize remarkably well while others not. And why a wide range of modern learning techniques (i.e., $\ell_2$-norm, distance-from-initialization, input-gradient and variance regularization together with data augmentation, invariant architectures, and overparameterization) are able to find them. The emergent conclusion is that all these methods provide complimentary procedures that bias the optimizer to smoother interpolators, which, according to this theoretical analysis, are the ones with better generalization error. One of the main insights of this study is that distribution-dependent bounds serve as a powerful tool better understand the complex dynamics behind the generalization capabilities of highly-overparameterized interpolators.  ( 2 min )

Denoising Diffusion Probabilistic Models (DDPMs) are a very popular class of deep generative model that have been successfully applied to a diverse range of problems including image and video generation, protein and material synthesis, weather forecasting, and neural surrogates of partial differential equations. Despite their ubiquity it is hard to find an introduction to DDPMs which is simple, comprehensive, clean and clear. The compact explanations necessary in research papers are not able to elucidate all of the different design steps taken to formulate the DDPM and the rationale of the steps that are presented is often omitted to save space. Moreover, the expositions are typically presented from the variational lower bound perspective which is unnecessary and arguably harmful as it obfuscates why the method is working and suggests generalisations that do not perform well in practice. On the other hand, perspectives that take the continuous time-limit are beautiful and general, but they have a high barrier-to-entry as they require background knowledge of stochastic differential equations and probability flow. In this note, we distill down the formulation of the DDPM into six simple steps each of which comes with a clear rationale. We assume that the reader is familiar with fundamental topics in machine learning including basic probabilistic modelling, Gaussian distributions, maximum likelihood estimation, and deep learning.  ( 2 min )

The performance of clients in Federated Learning (FL) can vary due to various reasons. Assessing the contributions of each client is crucial for client selection and compensation. It is challenging because clients often have non-independent and identically distributed (non-iid) data, leading to potentially noisy or divergent updates. The risk of malicious clients amplifies the challenge especially when there's no access to clients' local data or a benchmark root dataset. In this paper, we introduce a novel method called Fair, Robust, and Efficient Client Assessment (FRECA) for quantifying client contributions in FL. FRECA employs a framework called FedTruth to estimate the global model's ground truth update, balancing contributions from all clients while filtering out impacts from malicious ones. This approach is robust against Byzantine attacks and incorporates a Byzantine-resilient aggregation algorithm. FRECA is also efficient, as it operates solely on local model updates and requires no validation operations or datasets. Our experimental results show that FRECA can accurately and efficiently quantify client contributions in a robust manner.  ( 2 min )

As a key component to intuitive cognition and reasoning solutions in human intelligence, causal knowledge provides great potential for reinforcement learning (RL) agents' interpretability towards decision-making by helping reduce the searching space. However, there is still a considerable gap in discovering and incorporating causality into RL, which hinders the rapid development of causal RL. In this paper, we consider explicitly modeling the generation process of states with the causal graphical model, based on which we augment the policy. We formulate the causal structure updating into the RL interaction process with active intervention learning of the environment. To optimize the derived objective, we propose a framework with theoretical performance guarantees that alternates between two steps: using interventions for causal structure learning during exploration and using the learned causal structure for policy guidance during exploitation. Due to the lack of public benchmarks that allow direct intervention in the state space, we design the root cause localization task in our simulated fault alarm environment and then empirically show the effectiveness and robustness of the proposed method against state-of-the-art baselines. Theoretical analysis shows that our performance improvement attributes to the virtuous cycle of causal-guided policy learning and causal structure learning, which aligns with our experimental results.  ( 2 min )

The distributional simplicity bias (DSB) posits that neural networks learn low-order moments of the data distribution first, before moving on to higher-order correlations. In this work, we present compelling new evidence for the DSB by showing that networks automatically learn to perform well on maximum-entropy distributions whose low-order statistics match those of the training set early in training, then lose this ability later. We also extend the DSB to discrete domains by proving an equivalence between token $n$-gram frequencies and the moments of embedding vectors, and by finding empirical evidence for the bias in LLMs. Finally we use optimal transport methods to surgically edit the low-order statistics of one class to match those of another, and show that early-training networks treat the edited samples as if they were drawn from the target class. Code is available at https://github.com/EleutherAI/features-across-time.  ( 2 min )

Augmented reality for laparoscopic liver resection is a visualisation mode that allows a surgeon to localise tumours and vessels embedded within the liver by projecting them on top of a laparoscopic image. Preoperative 3D models extracted from CT or MRI data are registered to the intraoperative laparoscopic images during this process. In terms of 3D-2D fusion, most of the algorithms make use of anatomical landmarks to guide registration. These landmarks include the liver's inferior ridge, the falciform ligament, and the occluding contours. They are usually marked by hand in both the laparoscopic image and the 3D model, which is time-consuming and may contain errors if done by a non-experienced user. Therefore, there is a need to automate this process so that augmented reality can be used effectively in the operating room. We present the Preoperative-to-Intraoperative Laparoscopic Fusion Challenge (P2ILF), held during the Medical Imaging and Computer Assisted Interventions (MICCAI 2022) conference, which investigates the possibilities of detecting these landmarks automatically and using them in registration. The challenge was divided into two tasks: 1) A 2D and 3D landmark detection task and 2) a 3D-2D registration task. The teams were provided with training data consisting of 167 laparoscopic images and 9 preoperative 3D models from 9 patients, with the corresponding 2D and 3D landmark annotations. A total of 6 teams from 4 countries participated, whose proposed methods were evaluated on 16 images and two preoperative 3D models from two patients. All the teams proposed deep learning-based methods for the 2D and 3D landmark segmentation tasks and differentiable rendering-based methods for the registration task. Based on the experimental outcomes, we propose three key hypotheses that determine current limitations and future directions for research in this domain.  ( 3 min )

The rapid advancement of the automotive industry towards automated and semi-automated vehicles has rendered traditional methods of vehicle interaction, such as touch-based and voice command systems, inadequate for a widening range of non-driving related tasks, such as referencing objects outside of the vehicle. Consequently, research has shifted toward gestural input (e.g., hand, gaze, and head pose gestures) as a more suitable mode of interaction during driving. However, due to the dynamic nature of driving and individual variation, there are significant differences in drivers' gestural input performance. While, in theory, this inherent variability could be moderated by substantial data-driven machine learning models, prevalent methodologies lean towards constrained, single-instance trained models for object referencing. These models show a limited capacity to continuously adapt to the divergent behaviors of individual drivers and the variety of driving scenarios. To address this, we propose \textit{IcRegress}, a novel regression-based incremental learning approach that adapts to changing behavior and the unique characteristics of drivers engaged in the dual task of driving and referencing objects. We suggest a more personalized and adaptable solution for multimodal gestural interfaces, employing continuous lifelong learning to enhance driver experience, safety, and convenience. Our approach was evaluated using an outside-the-vehicle object referencing use case, highlighting the superiority of the incremental learning models adapted over a single trained model across various driver traits such as handedness, driving experience, and numerous driving conditions. Finally, to facilitate reproducibility, ease deployment, and promote further research, we offer our approach as an open-source framework at \url{https://github.com/amrgomaaelhady/IcRegress}.  ( 3 min )

Video caching can significantly improve backhaul traffic congestion by locally storing the popular content that users frequently request. A privacy-preserving method is desirable to learn how users' demands change over time. As such, this paper proposes a novel resource-aware hierarchical federated learning (RawHFL) solution to predict users' future content requests under the realistic assumptions that content requests are sporadic and users' datasets can only be updated based on the requested content's information. Considering a partial client participation case, we first derive the upper bound of the global gradient norm that depends on the clients' local training rounds and the successful reception of their accumulated gradients over the wireless links. Under delay, energy and radio resource constraints, we then optimize client selection and their local rounds and central processing unit (CPU) frequencies to minimize a weighted utility function that facilitates RawHFL's convergence in an energy-efficient way. Our simulation results show that the proposed solution significantly outperforms the considered baselines in terms of prediction accuracy and total energy expenditure.  ( 2 min )

Score-based generative models (SGMs) are a popular family of deep generative models that achieve leading image generation quality. Early studies extend SGMs to tackle class-conditional generation by coupling an unconditional SGM with the guidance of a trained classifier. Nevertheless, such classifier-guided SGMs do not always achieve accurate conditional generation, especially when trained with fewer labeled data. We argue that the problem is rooted in the classifier's tendency to overfit without coordinating with the underlying unconditional distribution. To make the classifier respect the unconditional distribution, we propose improving classifier-guided SGMs by letting the classifier regularize itself. The key idea of our proposed method is to use principles from energy-based models to convert the classifier into another view of the unconditional SGM. Existing losses for unconditional SGMs can then be leveraged to achieve regularization by calibrating the classifier's internal unconditional scores. The regularization scheme can be applied to not only the labeled data but also unlabeled ones to further improve the classifier. Across various percentages of fewer labeled data, empirical results show that the proposed approach significantly enhances conditional generation quality. The enhancements confirm the potential of the proposed self-calibration technique for generative modeling with limited labeled data.  ( 2 min )

Diffusion models currently achieve state-of-the-art performance for both conditional and unconditional image generation. However, so far, image diffusion models do not support tasks required for 3D understanding, such as view-consistent 3D generation or single-view object reconstruction. In this paper, we present RenderDiffusion, the first diffusion model for 3D generation and inference, trained using only monocular 2D supervision. Central to our method is a novel image denoising architecture that generates and renders an intermediate three-dimensional representation of a scene in each denoising step. This enforces a strong inductive structure within the diffusion process, providing a 3D consistent representation while only requiring 2D supervision. The resulting 3D representation can be rendered from any view. We evaluate RenderDiffusion on FFHQ, AFHQ, ShapeNet and CLEVR datasets, showing competitive performance for generation of 3D scenes and inference of 3D scenes from 2D images. Additionally, our diffusion-based approach allows us to use 2D inpainting to edit 3D scenes.  ( 2 min )

Combining discrete and continuous data is an important capability for generative models. We present Discrete Flow Models (DFMs), a new flow-based model of discrete data that provides the missing link in enabling flow-based generative models to be applied to multimodal continuous and discrete data problems. Our key insight is that the discrete equivalent of continuous space flow matching can be realized using Continuous Time Markov Chains. DFMs benefit from a simple derivation that includes discrete diffusion models as a specific instance while allowing improved performance over existing diffusion-based approaches. We utilize our DFMs method to build a multimodal flow-based modeling framework. We apply this capability to the task of protein co-design, wherein we learn a model for jointly generating protein structure and sequence. Our approach achieves state-of-the-art co-design performance while allowing the same multimodal model to be used for flexible generation of the sequence or structure.  ( 2 min )

Online planner selection is the task of choosing a solver out of a predefined set for a given planning problem. As planning is computationally hard, the performance of solvers varies greatly on planning problems. Thus, the ability to predict their performance on a given problem is of great importance. While a variety of learning methods have been employed, for classical cost-optimal planning the prevailing approach uses Graph Neural Networks (GNNs). In this work, we continue the line of work on using GNNs for online planner selection. We perform a thorough investigation of the impact of the chosen GNN model, graph representation and node features, as well as prediction task. Going further, we propose using the graph representation obtained by a GNN as an input to the Extreme Gradient Boosting (XGBoost) model, resulting in a more resource-efficient yet accurate approach. We show the effectiveness of a variety of GNN-based online planner selection methods, opening up new exciting avenues for research on online planner selection.  ( 2 min )

The healthcare landscape is evolving, with patients seeking more reliable information about their health conditions, treatment options, and potential risks. Despite the abundance of information sources, the digital age overwhelms individuals with excess, often inaccurate information. Patients primarily trust doctors and hospital staff, highlighting the need for expert-endorsed health information. However, the pressure on experts has led to reduced communication time, impacting information sharing. To address this gap, we propose CataractBot, an experts-in-the-loop chatbot powered by large language models (LLMs). Developed in collaboration with a tertiary eye hospital in India, CataractBot answers cataract surgery related questions instantly by querying a curated knowledge base, and provides expert-verified responses asynchronously. CataractBot features multimodal support and multilingual capabilities. In an in-the-wild deployment study with 49 participants, CataractBot proved valuable, providing anytime accessibility, saving time, and accommodating diverse literacy levels. Trust was established through expert verification. Broadly, our results could inform future work on designing expert-mediated LLM bots.  ( 2 min )

We introduce GEOTACT, a robotic manipulation method capable of retrieving objects buried in granular media. This is a challenging task due to the need to interact with granular media, and doing so based exclusively on tactile feedback, since a buried object can be completely hidden from vision. Tactile feedback is in itself challenging in this context, due to ubiquitous contact with the surrounding media, and the inherent noise level induced by the tactile readings. To address these challenges, we use a learning method trained end-to-end with simulated sensor noise. We show that our problem formulation leads to the natural emergence of learned pushing behaviors that the manipulator uses to reduce uncertainty and funnel the object to a stable grasp despite spurious and noisy tactile readings. We also introduce a training curriculum that enables learning these behaviors in simulation, followed by zero-shot transfer to real hardware. To the best of our knowledge, GEOTACT is the first method to reliably retrieve a number of different objects from a granular environment, doing so on real hardware and with integrated tactile sensing. Videos and additional information can be found at https://jxu.ai/geotact.  ( 2 min )

We study the optimal transport (OT) problem for measures supported on a graph metric space. Recently, Le et al. (2022) leverage the graph structure and propose a variant of OT, namely Sobolev transport (ST), which yields a closed-form expression for a fast computation. However, ST is essentially coupled with the $L^p$ geometric structure within its definition which makes it nontrivial to utilize ST for other prior structures. In contrast, the classic OT has the flexibility to adapt to various geometric structures by modifying the underlying cost function. An important instance is the Orlicz-Wasserstein (OW) which moves beyond the $L^p$ structure by leveraging the \emph{Orlicz geometric structure}. Comparing to the usage of standard $p$-order Wasserstein, OW remarkably helps to advance certain machine learning approaches. Nevertheless, OW brings up a new challenge on its computation due to its two-level optimization formulation. In this work, we leverage a specific class of convex functions for Orlicz structure to propose the generalized Sobolev transport (GST). GST encompasses the ST as its special case, and can be utilized for prior structures beyond the $L^p$ geometry. In connection with the OW, we show that one only needs to simply solve a univariate optimization problem to compute the GST, unlike the complex two-level optimization problem in OW. We empirically illustrate that GST is several-order faster than the OW. Moreover, we provide preliminary evidences on the advantages of GST for document classification and for several tasks in topological data analysis.  ( 2 min )

Automated Machine Learning (AutoML) has greatly advanced applications of Machine Learning (ML) including model compression, machine translation, and computer vision. Recommender Systems (RecSys) can be seen as an application of ML. Yet, AutoML has found little attention in the RecSys community; nor has RecSys found notable attention in the AutoML community. Only few and relatively simple Automated Recommender Systems (AutoRecSys) libraries exist that adopt AutoML techniques. However, these libraries are based on student projects and do not offer the features and thorough development of AutoML libraries. We set out to determine how AutoML libraries perform in the scenario of an inexperienced user who wants to implement a recommender system. We compared the predictive performance of 60 AutoML, AutoRecSys, ML, and RecSys algorithms from 15 libraries, including a mean predictor baseline, on 14 explicit feedback RecSys datasets. To simulate the perspective of an inexperienced user, the algorithms were evaluated with default hyperparameters. We found that AutoML and AutoRecSys libraries performed best. AutoML libraries performed best for six of the 14 datasets (43%), but it was not always the same AutoML library performing best. The single-best library was the AutoRecSys library Auto-Surprise, which performed best on five datasets (36%). On three datasets (21%), AutoML libraries performed poorly, and RecSys libraries with default parameters performed best. Although, while obtaining 50% of all placements in the top five per dataset, RecSys algorithms fall behind AutoML on average. ML algorithms generally performed the worst.  ( 2 min )

Topology optimization is a critical task in engineering design, where the goal is to optimally distribute material in a given space for maximum performance. We introduce Neural Implicit Topology Optimization (NITO), a novel approach to accelerate topology optimization problems using deep learning. NITO stands out as one of the first frameworks to offer a resolution-free and domain-agnostic solution in deep learning-based topology optimization. NITO synthesizes structures with up to seven times better structural efficiency compared to SOTA diffusion models and does so in a tenth of the time. In the NITO framework, we introduce a novel method, the Boundary Point Order-Invariant MLP (BPOM), to represent boundary conditions in a sparse and domain-agnostic manner, moving away from expensive simulation-based approaches. Crucially, NITO circumvents the domain and resolution limitations that restrict Convolutional Neural Network (CNN) models to a structured domain of fixed size -- limitations that hinder the widespread adoption of CNNs in engineering applications. This generalizability allows a single NITO model to train and generate solutions in countless domains, eliminating the need for numerous domain-specific CNNs and their extensive datasets. Despite its generalizability, NITO outperforms SOTA models even in specialized tasks, is an order of magnitude smaller, and is practically trainable at high resolutions that would be restrictive for CNNs. This combination of versatility, efficiency, and performance underlines NITO's potential to transform the landscape of engineering design optimization problems through implicit fields.  ( 3 min )

Graphical models capture relations between entities in a wide range of applications including social networks, biology, and natural language processing, among others. Graph neural networks (GNN) are neural models that operate over graphs, enabling the model to leverage the complex relationships and dependencies in graph-structured data. A graph explanation is a subgraph which is an `almost sufficient' statistic of the input graph with respect to its classification label. Consequently, the classification label is invariant, with high probability, to perturbations of graph edges not belonging to its explanation subgraph. This work considers two methods for leveraging such perturbation invariances in the design and training of GNNs. First, explanation-assisted learning rules are considered. It is shown that the sample complexity of explanation-assisted learning can be arbitrarily smaller than explanation-agnostic learning. Next, explanation-assisted data augmentation is considered, where the training set is enlarged by artificially producing new training samples via perturbation of the non-explanation edges in the original training set. It is shown that such data augmentation methods may improve performance if the augmented data is in-distribution, however, it may also lead to worse sample complexity compared to explanation-agnostic learning rules if the augmented data is out-of-distribution. Extensive empirical evaluations are provided to verify the theoretical analysis.  ( 2 min )

The partial monitoring (PM) framework provides a theoretical formulation of sequential learning problems with incomplete feedback. On each round, a learning agent plays an action while the environment simultaneously chooses an outcome. The agent then observes a feedback signal that is only partially informative about the (unobserved) outcome. The agent leverages the received feedback signals to select actions that minimize the (unobserved) cumulative loss. In contextual PM, the outcomes depend on some side information that is observable by the agent before selecting the action on each round. In this paper, we consider the contextual and non-contextual PM settings with stochastic outcomes. We introduce a new class of strategies based on the randomization of deterministic confidence bounds, that extend regret guarantees to settings where existing stochastic strategies are not applicable. Our experiments show that the proposed RandCBP and RandCBPside* strategies improve state-of-the-art baselines in PM games. To encourage the adoption of the PM framework, we design a use case on the real-world problem of monitoring the error rate of any deployed classification system.  ( 2 min )

This paper presents an approach integrating explainable artificial intelligence (XAI) techniques with adaptive learning to enhance energy consumption prediction models, with a focus on handling data distribution shifts. Leveraging SHAP clustering, our method provides interpretable explanations for model predictions and uses these insights to adaptively refine the model, balancing model complexity with predictive performance. We introduce a three-stage process: (1) obtaining SHAP values to explain model predictions, (2) clustering SHAP values to identify distinct patterns and outliers, and (3) refining the model based on the derived SHAP clustering characteristics. Our approach mitigates overfitting and ensures robustness in handling data distribution shifts. We evaluate our method on a comprehensive dataset comprising energy consumption records of buildings, as well as two additional datasets to assess the transferability of our approach to other domains, regression, and classification problems. Our experiments demonstrate the effectiveness of our approach in both task types, resulting in improved predictive performance and interpretable model explanations.  ( 2 min )

In this study, we present aLLM4TS, an innovative framework that adapts Large Language Models (LLMs) for time-series representation learning. Central to our approach is that we reconceive time-series forecasting as a self-supervised, multi-patch prediction task, which, compared to traditional mask-and-reconstruction methods, captures temporal dynamics in patch representations more effectively. Our strategy encompasses two-stage training: (i). a causal continual pre-training phase on various time-series datasets, anchored on next patch prediction, effectively syncing LLM capabilities with the intricacies of time-series data; (ii). fine-tuning for multi-patch prediction in the targeted time-series context. A distinctive element of our framework is the patch-wise decoding layer, which departs from previous methods reliant on sequence-level decoding. Such a design directly transposes individual patches into temporal sequences, thereby significantly bolstering the model's proficiency in mastering temporal patch-based representations. aLLM4TS demonstrates superior performance in several downstream tasks, proving its effectiveness in deriving temporal representations with enhanced transferability and marking a pivotal advancement in the adaptation of LLMs for time-series analysis.  ( 2 min )

A common way of partitioning graphs is through minimum cuts. One drawback of classical minimum cut methods is that they tend to produce small groups, which is why more balanced variants such as normalized and ratio cuts have seen more success. However, we believe that with these variants, the balance constraints can be too restrictive for some applications like for clustering of imbalanced datasets, while not being restrictive enough for when searching for perfectly balanced partitions. Here, we propose a new graph cut algorithm for partitioning graphs under arbitrary size constraints. We formulate the graph cut problem as a regularized Gromov-Wasserstein problem. We then propose to solve it using accelerated proximal GD algorithm which has global convergence guarantees, results in sparse solutions and only incurs an additional ratio of $\mathcal{O}(\log(n))$ compared to the classical spectral clustering algorithm but was seen to be more efficient.  ( 2 min )

Obtaining meaningful solutions for inverse problems has been a major challenge with many applications in science and engineering. Recent machine learning techniques based on proximal and diffusion-based methods have shown promising results. However, as we show in this work, they can also face challenges when applied to some exemplary problems. We show that similar to previous works on over-complete dictionaries, it is possible to overcome these shortcomings by embedding the solution into higher dimensions. The novelty of the work proposed is that we jointly design and learn the embedding and the regularizer for the embedding vector. We demonstrate the merit of this approach on several exemplary and common inverse problems.  ( 2 min )

We investigate the computational limits of the memory retrieval dynamics of modern Hopfield models from the fine-grained complexity analysis. Our key contribution is the characterization of a phase transition behavior in the efficiency of all possible modern Hopfield models based on the norm of patterns. Specifically, we establish an upper bound criterion for the norm of input query patterns and memory patterns. Only below this criterion, sub-quadratic (efficient) variants of the modern Hopfield model exist, assuming the Strong Exponential Time Hypothesis (SETH). To showcase our theory, we provide a formal example of efficient constructions of modern Hopfield models using low-rank approximation when the efficient criterion holds. This includes a derivation of a lower bound on the computational time, scaling linearly with $\Max\{$# of stored memory patterns, length of input query sequence$\}$. In addition, we prove its memory retrieval error bound and exponential memory capacity.  ( 2 min )

Synthetic Electronic Health Records (EHR) have emerged as a pivotal tool in advancing healthcare applications and machine learning models, particularly for researchers without direct access to healthcare data. Although existing methods, like rule-based approaches and generative adversarial networks (GANs), generate synthetic data that resembles real-world EHR data, these methods often use a tabular format, disregarding temporal dependencies in patient histories and limiting data replication. Recently, there has been a growing interest in leveraging Generative Pre-trained Transformers (GPT) for EHR data. This enables applications like disease progression analysis, population estimation, counterfactual reasoning, and synthetic data generation. In this work, we focus on synthetic data generation and demonstrate the capability of training a GPT model using a particular patient representation derived from CEHR-BERT, enabling us to generate patient sequences that can be seamlessly converted to the Observational Medical Outcomes Partnership (OMOP) data format.  ( 2 min )

We propose fine-tuning large language models for generation of stable materials. While unorthodox, fine-tuning large language models on text-encoded atomistic data is simple to implement yet reliable, with around 90% of sampled structures obeying physical constraints on atom positions and charges. Using energy above hull calculations from both learned ML potentials and gold-standard DFT calculations, we show that our strongest model (fine-tuned LLaMA-2 70B) can generate materials predicted to be metastable at about twice the rate (49% vs 28%) of CDVAE, a competing diffusion model. Because of text prompting's inherent flexibility, our models can simultaneously be used for unconditional generation of stable material, infilling of partial structures and text-conditional generation. Finally, we show that language models' ability to capture key symmetries of crystal structures improves with model scale, suggesting that the biases of pretrained LLMs are surprisingly well-suited for atomistic data.  ( 2 min )

Conformal prediction, as an emerging uncertainty qualification technique, constructs prediction sets that are guaranteed to contain the true label with high probability. Previous works usually employ temperature scaling to calibrate the classifier, assuming that confidence calibration can benefit conformal prediction. In this work, we first show that post-hoc calibration methods surprisingly lead to larger prediction sets with improved calibration, while over-confidence with small temperatures benefits the conformal prediction performance instead. Theoretically, we prove that high confidence reduces the probability of appending a new class in the prediction set. Inspired by the analysis, we propose a novel method, $\textbf{Conformal Temperature Scaling}$ (ConfTS), which rectifies the objective through the gap between the threshold and the non-conformity score of the ground-truth label. In this way, the new objective of ConfTS will optimize the temperature value toward an optimal set that satisfies the $\textit{marginal coverage}$. Experiments demonstrate that our method can effectively improve widely-used conformal prediction methods.  ( 2 min )

Diffusion-based imitation learning improves Behavioral Cloning (BC) on multi-modal decision-making, but comes at the cost of significantly slower inference due to the recursion in the diffusion process. It urges us to design efficient policy generators while keeping the ability to generate diverse actions. To address this challenge, we propose AdaFlow, an imitation learning framework based on flow-based generative modeling. AdaFlow represents the policy with state-conditioned ordinary differential equations (ODEs), which are known as probability flows. We reveal an intriguing connection between the conditional variance of their training loss and the discretization error of the ODEs. With this insight, we propose a variance-adaptive ODE solver that can adjust its step size in the inference stage, making AdaFlow an adaptive decision-maker, offering rapid inference without sacrificing diversity. Interestingly, it automatically reduces to a one-step generator when the action distribution is uni-modal. Our comprehensive empirical evaluation shows that AdaFlow achieves high performance across all dimensions, including success rate, behavioral diversity, and inference speed. The code is available at https://github.com/hxixixh/AdaFlow  ( 2 min )

Precipitation nowcasting based on radar data plays a crucial role in extreme weather prediction and has broad implications for disaster management. Despite progresses have been made based on deep learning, two key challenges of precipitation nowcasting are not well-solved: (i) the modeling of complex precipitation system evolutions with different scales, and (ii) accurate forecasts for extreme precipitation. In this work, we propose CasCast, a cascaded framework composed of a deterministic and a probabilistic part to decouple the predictions for mesoscale precipitation distributions and small-scale patterns. Then, we explore training the cascaded framework at the high resolution and conducting the probabilistic modeling in a low dimensional latent space with a frame-wise-guided diffusion transformer for enhancing the optimization of extreme events while reducing computational costs. Extensive experiments on three benchmark radar precipitation datasets show that CasCast achieves competitive performance. Especially, CasCast significantly surpasses the baseline (up to +91.8%) for regional extreme-precipitation nowcasting.  ( 2 min )

Symbolic regression (SR) searches for analytical expressions representing the relationship between a set of explanatory and response variables. Current SR methods assume a single dataset extracted from a single experiment. Nevertheless, frequently, the researcher is confronted with multiple sets of results obtained from experiments conducted with different setups. Traditional SR methods may fail to find the underlying expression since the parameters of each experiment can be different. In this work we present Multi-View Symbolic Regression (MvSR), which takes into account multiple datasets simultaneously, mimicking experimental environments, and outputs a general parametric solution. This approach fits the evaluated expression to each independent dataset and returns a parametric family of functions f(x; \theta) simultaneously capable of accurately fitting all datasets. We demonstrate the effectiveness of MvSR using data generated from known expressions, as well as real-world data from astronomy, chemistry and economy, for which an a priori analytical expression is not available. Results show that MvSR obtains the correct expression more frequently and is robust to hyperparameters change. In real-world data, it is able to grasp the group behaviour, recovering known expressions from the literature as well as promising alternatives, thus enabling the use SR to a large range of experimental scenarios.  ( 2 min )

Resilience against stragglers is a critical element of prediction serving systems, tasked with executing inferences on input data for a pre-trained machine-learning model. In this paper, we propose NeRCC, as a general straggler-resistant framework for approximate coded computing. NeRCC includes three layers: (1) encoding regression and sampling, which generates coded data points, as a combination of original data points, (2) computing, in which a cluster of workers run inference on the coded data points, (3) decoding regression and sampling, which approximately recovers the predictions of the original data points from the available predictions on the coded data points. We argue that the overall objective of the framework reveals an underlying interconnection between two regression models in the encoding and decoding layers. We propose a solution to the nested regressions problem by summarizing their dependence on two regularization terms that are jointly optimized. Our extensive experiments on different datasets and various machine learning models, including LeNet5, RepVGG, and Vision Transformer (ViT), demonstrate that NeRCC accurately approximates the original predictions in a wide range of stragglers, outperforming the state-of-the-art by up to 23%.  ( 2 min )

Hypergraph Neural Networks (HGNNs) have recently attracted much attention and exhibited satisfactory performance due to their superiority in high-order correlation modeling. However, it is noticed that the high-order modeling capability of hypergraph also brings increased computation complexity, which hinders its practical industrial deployment. In practice, we find that one key barrier to the efficient deployment of HGNNs is the high-order structural dependencies during inference. In this paper, we propose to bridge the gap between the HGNNs and inference-efficient Multi-Layer Perceptron (MLPs) to eliminate the hypergraph dependency of HGNNs and thus reduce computational complexity as well as improve inference speed. Specifically, we introduce LightHGNN and LightHGNN$^+$ for fast inference with low complexity. LightHGNN directly distills the knowledge from teacher HGNNs to student MLPs via soft labels, and LightHGNN$^+$ further explicitly injects reliable high-order correlations into the student MLPs to achieve topology-aware distillation and resistance to over-smoothing. Experiments on eight hypergraph datasets demonstrate that even without hypergraph dependency, the proposed LightHGNNs can still achieve competitive or even better performance than HGNNs and outperform vanilla MLPs by $16.3$ on average. Extensive experiments on three graph datasets further show the average best performance of our LightHGNNs compared with all other methods. Experiments on synthetic hypergraphs with 5.5w vertices indicate LightHGNNs can run $100\times$ faster than HGNNs, showcasing their ability for latency-sensitive deployments.  ( 2 min )

The growing use of machine learning (ML) has raised concerns that an ML model may reveal private information about an individual who has contributed to the training dataset. To prevent leakage of sensitive data, we consider using differentially-private (DP), synthetic training data instead of real training data to train an ML model. A key desirable property of synthetic data is its ability to preserve the low-order marginals of the original distribution. Our main contribution comprises novel upper and lower bounds on the excess empirical risk of linear models trained on such synthetic data, for continuous and Lipschitz loss functions. We perform extensive experimentation alongside our theoretical results.  ( 2 min )

Linear attentions have shown potential for improving Transformer efficiency, reducing attention's quadratic complexity to linear in sequence length. This holds exciting promise for (1) training linear Transformers from scratch, (2) "finetuned-conversion" of task-specific Transformers into linear versions that recover task performance, and (3) "pretrained-conversion" of Transformers such as large language models into linear versions finetunable on downstream tasks. However, linear attentions often underperform standard softmax attention in quality. To close this performance gap, we find prior linear attentions lack key properties of softmax attention tied to good performance: low-entropy (or "spiky") weights and dot-product monotonicity. We further observe surprisingly simple feature maps that retain these properties and match softmax performance, but are inefficient to compute in linear attention. We thus propose Hedgehog, a learnable linear attention that retains the spiky and monotonic properties of softmax attention while maintaining linear complexity. Hedgehog uses simple trainable MLPs to produce attention weights mimicking softmax attention. Experiments show Hedgehog recovers over 99% of standard Transformer quality in train-from-scratch and finetuned-conversion settings, outperforming prior linear attentions up to 6 perplexity points on WikiText-103 with causal GPTs, and up to 8.7 GLUE score points on finetuned bidirectional BERTs. Hedgehog also enables pretrained-conversion. Converting a pretrained GPT-2 into a linear attention variant achieves state-of-the-art 16.7 perplexity on WikiText-103 for 125M subquadratic decoder models. We finally turn a pretrained Llama-2 7B into a viable linear attention Llama. With low-rank adaptation, Hedgehog-Llama2 7B achieves 28.1 higher ROUGE-1 points over the base standard attention model, where prior linear attentions lead to 16.5 point drops.  ( 3 min )

Although physics-informed neural networks (PINNs) have shown great potential in dealing with nonlinear partial differential equations (PDEs), it is common that PINNs will suffer from the problem of insufficient precision or obtaining incorrect outcomes. Unlike most of the existing solutions trying to enhance the ability of PINN by optimizing the training process, this paper improved the neural network architecture to improve the performance of PINN. We propose a densely multiply PINN (DM-PINN) architecture, which multiplies the output of a hidden layer with the outputs of all the behind hidden layers. Without introducing more trainable parameters, this effective mechanism can significantly improve the accuracy of PINNs. The proposed architecture is evaluated on four benchmark examples (Allan-Cahn equation, Helmholtz equation, Burgers equation and 1D convection equation). Comparisons between the proposed architecture and different PINN structures demonstrate the superior performance of the DM-PINN in both accuracy and efficiency.  ( 2 min )

Vision-language models (VLMs) have emerged as formidable tools, showing their strong capability in handling various open-vocabulary tasks in image recognition, text-driven visual content generation, and visual chatbots, to name a few. In recent years, considerable efforts and resources have been devoted to adaptation methods for improving downstream performance of VLMs, particularly on parameter-efficient fine-tuning methods like prompt learning. However, a crucial aspect that has been largely overlooked is the confidence calibration problem in fine-tuned VLMs, which could greatly reduce reliability when deploying such models in the real world. This paper bridges the gap by systematically investigating the confidence calibration problem in the context of prompt learning and reveals that existing calibration methods are insufficient to address the problem, especially in the open-vocabulary setting. To solve the problem, we present a simple and effective approach called Distance-Aware Calibration (DAC), which is based on scaling the temperature using as guidance the distance between predicted text labels and base classes. The experiments with 7 distinct prompt learning methods applied across 11 diverse downstream datasets demonstrate the effectiveness of DAC, which achieves high efficacy without sacrificing the inference speed.  ( 2 min )

Algorithms designed for addressing typical supervised classification problems can only learn from a fixed set of samples and labels, making them unsuitable for the real world, where data arrives as a stream of samples often associated with multiple labels over time. This motivates the study of task-agnostic continual multi-label learning problems. While algorithms using deep learning approaches for continual multi-label learning have been proposed in the recent literature, they tend to be computationally heavy. Although spiking neural networks (SNNs) offer a computationally efficient alternative to artificial neural networks, existing literature has not used SNNs for continual multi-label learning. Also, accurately determining multiple labels with SNNs is still an open research problem. This work proposes a dual output spiking architecture (DOSA) to bridge these research gaps. A novel imbalance-aware loss function is also proposed, improving the multi-label classification performance of the model by making it more robust to data imbalance. A modified F1 score is presented to evaluate the effectiveness of the proposed loss function in handling imbalance. Experiments on several benchmark multi-label datasets show that DOSA trained with the proposed loss function shows improved robustness to data imbalance and obtains better continual multi-label learning performance than CIFDM, a previous state-of-the-art algorithm.  ( 3 min )

Large Language Models (LLMs) have a natural role in answering complex queries about data streams, but the high computational cost of LLM inference makes them infeasible in many such tasks. We propose online cascade learning, the first approach to addressing this challenge. The objective here is to learn a "cascade" of models, starting with lower-capacity models (such as logistic regressors) and ending with a powerful LLM, along with a deferral policy that determines the model that is used on a given input. We formulate the task of learning cascades online as an imitation-learning problem and give a no-regret algorithm for the problem. Experimental results across four benchmarks show that our method parallels LLMs in accuracy while cutting down inference costs by as much as 90%, underscoring its efficacy and adaptability in stream processing.  ( 2 min )

We study a robust multi-agent multi-armed bandit problem where multiple clients or participants are distributed on a fully decentralized blockchain, with the possibility of some being malicious. The rewards of arms are homogeneous among the clients, following time-invariant stochastic distributions that are revealed to the participants only when the system is secure enough. The system's objective is to efficiently ensure the cumulative rewards gained by the honest participants. To this end and to the best of our knowledge, we are the first to incorporate advanced techniques from blockchains, as well as novel mechanisms, into the system to design optimal strategies for honest participants. This allows various malicious behaviors and the maintenance of participant privacy. More specifically, we randomly select a pool of validators who have access to all participants, design a brand-new consensus mechanism based on digital signatures for these validators, invent a UCB-based strategy that requires less information from participants through secure multi-party computation, and design the chain-participant interaction and an incentive mechanism to encourage participants' participation. Notably, we are the first to prove the theoretical guarantee of the proposed algorithms by regret analyses in the context of optimality in blockchains. Unlike existing work that integrates blockchains with learning problems such as federated learning which mainly focuses on numerical optimality, we demonstrate that the regret of honest participants is upper bounded by $log{T}$. This is consistent with the multi-agent multi-armed bandit problem without malicious participants and the robust multi-agent multi-armed bandit problem with purely Byzantine attacks.  ( 2 min )

Pretrained large language models (LLMs) exhibit exceptional general language processing capabilities but come with significant demands on memory and computational resources. As a powerful compression technology, binarization can extremely reduce model weights to a mere 1 bit, lowering the expensive computation and memory requirements. However, existing quantization techniques fall short of maintaining LLM performance under ultra-low bit-widths. In response to this challenge, we present BiLLM, a groundbreaking 1-bit post-training quantization scheme tailored for pretrained LLMs. Based on the weight distribution of LLMs, BiLLM first identifies and structurally selects salient weights, and minimizes the compression loss through an effective binary residual approximation strategy. Moreover, considering the bell-shaped distribution of the non-salient weights, we propose an optimal splitting search to group and binarize them accurately. BiLLM achieving for the first time high-accuracy inference (e.g. 8.41 perplexity on LLaMA2-70B) with only 1.08-bit weights across various LLMs families and evaluation metrics, outperforms SOTA quantization methods of LLM by significant margins. Moreover, BiLLM enables the binarization process of the LLM with 7 billion weights within 0.5 hours on a single GPU, demonstrating satisfactory time efficiency.  ( 2 min )

Offline reinforcement learning (RL) aims to learn a policy that maximizes the expected cumulative reward using a pre-collected dataset. Offline RL with low-rank MDPs or general function approximation has been widely studied recently, but existing algorithms with sample complexity $O(\epsilon^{-2})$ for finding an $\epsilon$-optimal policy either require a uniform data coverage assumptions or are computationally inefficient. In this paper, we propose a primal dual algorithm for offline RL with low-rank MDPs in the discounted infinite-horizon setting. Our algorithm is the first computationally efficient algorithm in this setting that achieves sample complexity of $O(\epsilon^{-2})$ with partial data coverage assumption. This improves upon a recent work that requires $O(\epsilon^{-4})$ samples. Moreover, our algorithm extends the previous work to the offline constrained RL setting by supporting constraints on additional reward signals.  ( 2 min )

This paper presents a new method for combining (or aggregating or ensembling) multivariate probabilistic forecasts, considering dependencies between quantiles and marginals through a smoothing procedure that allows for online learning. We discuss two smoothing methods: dimensionality reduction using Basis matrices and penalized smoothing. The new online learning algorithm generalizes the standard CRPS learning framework into multivariate dimensions. It is based on Bernstein Online Aggregation (BOA) and yields optimal asymptotic learning properties. The procedure uses horizontal aggregation, i.e., aggregation across quantiles. We provide an in-depth discussion on possible extensions of the algorithm and several nested cases related to the existing literature on online forecast combination. We apply the proposed methodology to forecasting day-ahead electricity prices, which are 24-dimensional distributional forecasts. The proposed method yields significant improvements over uniform combination in terms of continuous ranked probability score (CRPS). We discuss the temporal evolution of the weights and hyperparameters and present the results of reduced versions of the preferred model. A fast C++ implementation of the proposed algorithm is provided in the open-source R-Package profoc on CRAN.  ( 3 min )

We study how to make decisions that minimize Bayesian regret in offline linear bandits. Prior work suggests that one must take actions with maximum lower confidence bound (LCB) on their reward. We argue that reliance on LCB is inherently flawed in this setting and propose a new algorithm that directly minimizes upper bounds on the Bayesian regret using efficient conic optimization solvers. Our bounds build heavily on new connections to monetary risk measures. Proving a matching lower bound, we show that our upper bounds are tight, and by minimizing them we are guaranteed to outperform the LCB approach. Our numerical results on synthetic domains confirm that our approach is superior to maximizing LCB.  ( 2 min )

In machine learning, it is common to optimize the parameters of a probabilistic model, modulated by an ad hoc regularization term that penalizes some values of the parameters. Regularization terms appear naturally in Variational Inference, a tractable way to approximate Bayesian posteriors: the loss to optimize contains a Kullback--Leibler divergence term between the approximate posterior and a Bayesian prior. We fully characterize the regularizers that can arise according to this procedure, and provide a systematic way to compute the prior corresponding to a given penalty. Such a characterization can be used to discover constraints over the penalty function, so that the overall procedure remains Bayesian.  ( 2 min )

In this paper, we introduce a new flow-based method for global optimization of Lipschitz functions, called Stein Boltzmann Sampling (SBS). Our method samples from the Boltzmann distribution that becomes asymptotically uniform over the set of the minimizers of the function to be optimized. Candidate solutions are sampled via the \emph{Stein Variational Gradient Descent} algorithm. We prove the asymptotic convergence of our method, introduce two SBS variants, and provide a detailed comparison with several state-of-the-art global optimization algorithms on various benchmark functions. The design of our method, the theoretical results, and our experiments, suggest that SBS is particularly well-suited to be used as a continuation of efficient global optimization methods as it can produce better solutions while making a good use of the budget.  ( 2 min )

We consider online learning in the model where a learning algorithm can access the class only via the \emph{consistent oracle} -- an oracle, that, at any moment, can give a function from the class that agrees with all examples seen so far. This model was recently considered by Assos et al.~(COLT'23). It is motivated by the fact that standard methods of online learning rely on computing the Littlestone dimension of subclasses, a computationally intractable problem. Assos et al.~gave an online learning algorithm in this model that makes at most $C^d$ mistakes on classes of Littlestone dimension $d$, for some absolute unspecified constant $C > 0$. We give a novel algorithm that makes at most $O(256^d)$ mistakes. Our proof is significantly simpler and uses only very basic properties of the Littlestone dimension. We also show that there exists no algorithm in this model that makes less than $3^d$ mistakes.  ( 2 min )

Choosing appropriate hyperparameters plays a crucial role in the success of neural networks as hyper-parameters directly control the behavior and performance of the training algorithms. To obtain efficient tuning, Bayesian optimization methods based on Gaussian process (GP) models are widely used. Despite numerous applications of Bayesian optimization in deep learning, the existing methodologies are developed based on a convenient but restrictive assumption that the tuning parameters are independent of each other. However, tuning parameters with conditional dependence are common in practice. In this paper, we focus on two types of them: branching and nested parameters. Nested parameters refer to those tuning parameters that exist only within a particular setting of another tuning parameter, and a parameter within which other parameters are nested is called a branching parameter. To capture the conditional dependence between branching and nested parameters, a unified Bayesian optimization framework is proposed. The sufficient conditions are rigorously derived to guarantee the validity of the kernel function, and the asymptotic convergence of the proposed optimization framework is proven under the continuum-armed-bandit setting. Based on the new GP model, which accounts for the dependent structure among input variables through a new kernel function, higher prediction accuracy and better optimization efficiency are observed in a series of synthetic simulations and real data applications of neural networks. Sensitivity analysis is also performed to provide insights into how changes in hyperparameter values affect prediction accuracy.  ( 2 min )

Diffusion models have emerged as a powerful tool rivaling GANs in generating high-quality samples with improved fidelity, flexibility, and robustness. A key component of these models is to learn the score function through score matching. Despite empirical success on various tasks, it remains unclear whether gradient-based algorithms can learn the score function with a provable accuracy. As a first step toward answering this question, this paper establishes a mathematical framework for analyzing score estimation using neural networks trained by gradient descent. Our analysis covers both the optimization and the generalization aspects of the learning procedure. In particular, we propose a parametric form to formulate the denoising score-matching problem as a regression with noisy labels. Compared to the standard supervised learning setup, the score-matching problem introduces distinct challenges, including unbounded input, vector-valued output, and an additional time variable, preventing existing techniques from being applied directly. In this paper, we show that with a properly designed neural network architecture, the score function can be accurately approximated by a reproducing kernel Hilbert space induced by neural tangent kernels. Furthermore, by applying an early-stopping rule for gradient descent and leveraging certain coupling arguments between neural network training and kernel regression, we establish the first generalization error (sample complexity) bounds for learning the score function despite the presence of noise in the observations. Our analysis is grounded in a novel parametric form of the neural network and an innovative connection between score matching and regression analysis, facilitating the application of advanced statistical and optimization techniques.  ( 3 min )

We focus on constrained, $L$-smooth, nonconvex-nonconcave min-max problems either satisfying $\rho$-cohypomonotonicity or admitting a solution to the $\rho$-weakly Minty Variational Inequality (MVI), where larger values of the parameter $\rho>0$ correspond to a greater degree of nonconvexity. These problem classes include examples in two player reinforcement learning, interaction dominant min-max problems, and certain synthetic test problems on which classical min-max algorithms fail. It has been conjectured that first-order methods can tolerate value of $\rho$ no larger than $\frac{1}{L}$, but existing results in the literature have stagnated at the tighter requirement $\rho < \frac{1}{2L}$. With a simple argument, we obtain optimal or best-known complexity guarantees with cohypomonotonicity or weak MVI conditions for $\rho < \frac{1}{L}$. The algorithms we analyze are inexact variants of Halpern and Krasnosel'ski\u{\i}-Mann (KM) iterations. We also provide algorithms and complexity guarantees in the stochastic case with the same range on $\rho$. Our main insight for the improvements in the convergence analyses is to harness the recently proposed "conic nonexpansiveness" property of operators. As byproducts, we provide a refined analysis for inexact Halpern iteration and propose a stochastic KM iteration with a multilevel Monte Carlo estimator.  ( 2 min )

We study statistical watermarking by formulating it as a hypothesis testing problem, a general framework which subsumes all previous statistical watermarking methods. Key to our formulation is a coupling of the output tokens and the rejection region, realized by pseudo-random generators in practice, that allows non-trivial trade-offs between the Type I error and Type II error. We characterize the Uniformly Most Powerful (UMP) watermark in the general hypothesis testing setting and the minimax Type II error in the model-agnostic setting. In the common scenario where the output is a sequence of $n$ tokens, we establish nearly matching upper and lower bounds on the number of i.i.d. tokens required to guarantee small Type I and Type II errors. Our rate of $\Theta(h^{-1} \log (1/h))$ with respect to the average entropy per token $h$ highlights potentials for improvement from the rate of $h^{-2}$ in the previous works. Moreover, we formulate the robust watermarking problem where the user is allowed to perform a class of perturbations on the generated texts, and characterize the optimal Type II error of robust UMP tests via a linear programming problem. To the best of our knowledge, this is the first systematic statistical treatment on the watermarking problem with near-optimal rates in the i.i.d. setting, which might be of interest for future works.  ( 3 min )

We explore two primary classes of approaches to dimensionality reduction (DR): Independent Dimensionality Reduction (IDR) and Simultaneous Dimensionality Reduction (SDR). In IDR methods, of which Principal Components Analysis is a paradigmatic example, each modality is compressed independently, striving to retain as much variation within each modality as possible. In contrast, in SDR, one simultaneously compresses the modalities to maximize the covariation between the reduced descriptions while paying less attention to how much individual variation is preserved. Paradigmatic examples include Partial Least Squares and Canonical Correlations Analysis. Even though these DR methods are a staple of statistics, their relative accuracy and data set size requirements are poorly understood. We introduce a generative linear model to synthesize multimodal data with known variance and covariance structures to examine these questions. We assess the accuracy of the reconstruction of the covariance structures as a function of the number of samples, signal-to-noise ratio, and the number of varying and covarying signals in the data. Using numerical experiments, we demonstrate that linear SDR methods consistently outperform linear IDR methods and yield higher-quality, more succinct reduced-dimensional representations with smaller datasets. Remarkably, regularized CCA can identify low-dimensional weak covarying structures even when the number of samples is much smaller than the dimensionality of the data, which is a regime challenging for all dimensionality reduction methods. Our work corroborates and explains previous observations in the literature that SDR can be more effective in detecting covariation patterns in data. These findings suggest that SDR should be preferred to IDR in real-world data analysis when detecting covariation is more important than preserving variation.  ( 3 min )

Knowledge of the effect of interventions, called the treatment effect, is paramount for decision-making. Approaches to estimating this treatment effect, e.g. by using Conditional Average Treatment Effect (CATE) estimators, often only provide a point estimate of this treatment effect, while additional uncertainty quantification is frequently desired instead. Therefore, we present a novel method, the Conformal Monte Carlo (CMC) meta-learners, leveraging conformal predictive systems, Monte Carlo sampling, and CATE meta-learners, to instead produce a predictive distribution usable in individualized decision-making. Furthermore, we show how specific assumptions on the noise distribution of the outcome heavily affect these uncertainty predictions. Nonetheless, the CMC framework shows strong experimental coverage while retaining small interval widths to provide estimates of the true individual treatment effect.  ( 2 min )

Persistent homology (PH) provides topological descriptors for geometric data, such as weighted graphs, which are interpretable, stable to perturbations, and invariant under, e.g., relabeling. Most applications of PH focus on the one-parameter case -- where the descriptors summarize the changes in topology of data as it is filtered by a single quantity of interest -- and there is now a wide array of methods enabling the use of one-parameter PH descriptors in data science, which rely on the stable vectorization of these descriptors as elements of a Hilbert space. Although the multiparameter PH (MPH) of data that is filtered by several quantities of interest encodes much richer information than its one-parameter counterpart, the scarceness of stability results for MPH descriptors has so far limited the available options for the stable vectorization of MPH. In this paper, we aim to bring together the best of both worlds by showing how the interpretation of signed barcodes -- a recent family of MPH descriptors -- as signed measures leads to natural extensions of vectorization strategies from one parameter to multiple parameters. The resulting feature vectors are easy to define and to compute, and provably stable. While, as a proof of concept, we focus on simple choices of signed barcodes and vectorizations, we already see notable performance improvements when comparing our feature vectors to state-of-the-art topology-based methods on various types of data.  ( 3 min )

Good arm identification (GAI) is a pure-exploration bandit problem in which a single learner outputs an arm as soon as it is identified as a good arm. A good arm is defined as an arm with an expected reward greater than or equal to a given threshold. This paper focuses on the GAI problem under a small threshold gap, which refers to the distance between the expected rewards of arms and the given threshold. We propose a new algorithm called lil'HDoC to significantly improve the total sample complexity of the HDoC algorithm. We demonstrate that the sample complexity of the first $\lambda$ output arm in lil'HDoC is bounded by the original HDoC algorithm, except for one negligible term, when the distance between the expected reward and threshold is small. Extensive experiments confirm that our algorithm outperforms the state-of-the-art algorithms in both synthetic and real-world datasets.  ( 2 min )

We study the adversarial bandit problem against arbitrary strategies, in which $S$ is the parameter for the hardness of the problem and this parameter is not given to the agent. To handle this problem, we adopt the master-base framework using the online mirror descent method (OMD). We first provide a master-base algorithm with simple OMD, achieving $\tilde{O}(S^{1/2}K^{1/3}T^{2/3})$, in which $T^{2/3}$ comes from the variance of loss estimators. To mitigate the impact of the variance, we propose using adaptive learning rates for OMD and achieve $\tilde{O}(\min\{\mathbb{E}[\sqrt{SKT\rho_T(h^\dagger)}],S\sqrt{KT}\})$, where $\rho_T(h^\dagger)$ is a variance term for loss estimators.  ( 2 min )

Bayesian Generalized Linear Models (GLMs) define a flexible probabilistic framework to model categorical, ordinal and continuous data, and are widely used in practice. However, exact inference in GLMs is prohibitively expensive for large datasets, thus requiring approximations in practice. The resulting approximation error adversely impacts the reliability of the model and is not accounted for in the uncertainty of the prediction. In this work, we introduce a family of iterative methods that explicitly model this error. They are uniquely suited to parallel modern computing hardware, efficiently recycle computations, and compress information to reduce both the time and memory requirements for GLMs. As we demonstrate on a realistically large classification problem, our method significantly accelerates training compared to competitive baselines by trading off reduced computation for increased uncertainty.  ( 2 min )

We study online changepoint detection in the context of a linear regression model. We propose a class of heavily weighted statistics based on the CUSUM process of the regression residuals, which are specifically designed to ensure timely detection of breaks occurring early on during the monitoring horizon. We subsequently propose a class of composite statistics, constructed using different weighing schemes; the decision rule to mark a changepoint is based on the largest statistic across the various weights, thus effectively working like a veto-based voting mechanism, which ensures fast detection irrespective of the location of the changepoint. Our theory is derived under a very general form of weak dependence, thus being able to apply our tests to virtually all time series encountered in economics, medicine, and other applied sciences. Monte Carlo simulations show that our methodologies are able to control the procedure-wise Type I Error, and have short detection delays in the presence of breaks.  ( 2 min )

In this paper, we present a distribution-dependent PAC-Chernoff bound that is perfectly tight for interpolators even under overparametrized model classes. This bound relies on basic principles of Large Deviation Theory and naturally provides a characterization of the smoothness of a model described as a simple real-valued function. Based on this distribution-dependent bound and the novel definition of smoothness, we propose an unifying theoretical explanation of why some interpolators generalize remarkably well while others not. And why a wide range of modern learning techniques (i.e., $\ell_2$-norm, distance-from-initialization, input-gradient and variance regularization together with data augmentation, invariant architectures, and overparameterization) are able to find them. The emergent conclusion is that all these methods provide complimentary procedures that bias the optimizer to smoother interpolators, which, according to this theoretical analysis, are the ones with better generalization error. One of the main insights of this study is that distribution-dependent bounds serve as a powerful tool better understand the complex dynamics behind the generalization capabilities of highly-overparameterized interpolators.  ( 2 min )

Transformers are neural networks which revolutionised natural language processing and machine learning. They process sequences of inputs, like words, using a mechanism called self-attention, which is trained via masked language modelling (MLM). In MLM, a word is randomly masked in an input sequence, and the network is trained to predict the missing word. Despite the practical success of transformers, it remains unclear what type of data distribution self-attention can learn efficiently. Here, we show analytically that if one decouples the treatment of word positions and embeddings, a single layer of self-attention learns the conditionals of a generalised Potts model with interactions between sites and Potts colours. Moreover, we show that training this neural network is exactly equivalent to solving the inverse Potts problem by the so-called pseudo-likelihood method, well known in statistical physics. Using this mapping, we compute the generalisation error of self-attention in a model scenario analytically using the replica method.  ( 2 min )

We study the loss landscape of both shallow and deep, mildly overparameterized ReLU neural networks on a generic finite input dataset for the squared error loss. We show both by count and volume that most activation patterns correspond to parameter regions with no bad local minima. Furthermore, for one-dimensional input data, we show most activation regions realizable by the network contain a high dimensional set of global minima and no bad local minima. We experimentally confirm these results by finding a phase transition from most regions having full rank Jacobian to many regions having deficient rank depending on the amount of overparameterization.  ( 2 min )

We present a theory of ensemble diversity, explaining the nature of diversity for a wide range of supervised learning scenarios. This challenge has been referred to as the holy grail of ensemble learning, an open research issue for over 30 years. Our framework reveals that diversity is in fact a hidden dimension in the bias-variance decomposition of the ensemble loss. We prove a family of exact bias-variance-diversity decompositions, for a wide range of losses in both regression and classification, e.g., squared, cross-entropy, and Poisson losses. For losses where an additive bias-variance decomposition is not available (e.g., 0/1 loss) we present an alternative approach: quantifying the effects of diversity, which turn out to be dependent on the label distribution. Overall, we argue that diversity is a measure of model fit, in precisely the same sense as bias and variance, but accounting for statistical dependencies between ensemble members. Thus, we should not be maximising diversity as so many works aim to do -- instead, we have a bias/variance/diversity trade-off to manage.  ( 2 min )

This paper concerns the structure of learned representations in text-guided generative models, focusing on score-based models. A key property of such models is that they can compose disparate concepts in a `disentangled' manner. This suggests these models have internal representations that encode concepts in a `disentangled' manner. Here, we focus on the idea that concepts are encoded as subspaces of some representation space. We formalize what this means, show there's a natural choice for the representation, and develop a simple method for identifying the part of the representation corresponding to a given concept. In particular, this allows us to manipulate the concepts expressed by the model through algebraic manipulation of the representation. We demonstrate the idea with examples using Stable Diffusion. Code in https://github.com/zihao12/concept-algebra-code  ( 2 min )

We investigate the contraction properties of locally differentially private mechanisms. More specifically, we derive tight upper bounds on the divergence between $PK$ and $QK$ output distributions of an $\epsilon$-LDP mechanism $K$ in terms of a divergence between the corresponding input distributions $P$ and $Q$, respectively. Our first main technical result presents a sharp upper bound on the $\chi^2$-divergence $\chi^2(PK}\|QK)$ in terms of $\chi^2(P\|Q)$ and $\varepsilon$. We also show that the same result holds for a large family of divergences, including KL-divergence and squared Hellinger distance. The second main technical result gives an upper bound on $\chi^2(PK\|QK)$ in terms of total variation distance $\mathsf{TV}(P, Q)$ and $\epsilon$. We then utilize these bounds to establish locally private versions of the van Trees inequality, Le Cam's, Assouad's, and the mutual information methods, which are powerful tools for bounding minimax estimation risks. These results are shown to lead to better privacy analyses than the state-of-the-arts in several statistical problems such as entropy and discrete distribution estimation, non-parametric density estimation, and hypothesis testing.  ( 2 min )

In this paper, we prove the first Bayesian regret bounds for Thompson Sampling in reinforcement learning in a multitude of settings. We simplify the learning problem using a discrete set of surrogate environments, and present a refined analysis of the information ratio using posterior consistency. This leads to an upper bound of order $\widetilde{O}(H\sqrt{d_{l_1}T})$ in the time inhomogeneous reinforcement learning problem where $H$ is the episode length and $d_{l_1}$ is the Kolmogorov $l_1-$dimension of the space of environments. We then find concrete bounds of $d_{l_1}$ in a variety of settings, such as tabular, linear and finite mixtures, and discuss how how our results are either the first of their kind or improve the state-of-the-art.  ( 2 min )

Decision tree learning is increasingly being used for pointwise inference. Important applications include causal heterogenous treatment effects and dynamic policy decisions, as well as conditional quantile regression and design of experiments, where tree estimation and inference is conducted at specific values of the covariates. In this paper, we call into question the use of decision trees (trained by adaptive recursive partitioning) for such purposes by demonstrating that they can fail to achieve polynomial rates of convergence in uniform norm with non-vanishing probability, even with pruning. Instead, the convergence may be arbitrarily slow or, in some important special cases, such as honest regression trees, fail completely. We show that random forests can remedy the situation, turning poor performing trees into nearly optimal procedures, at the cost of losing interpretability and introducing two additional tuning parameters. The two hallmarks of random forests, subsampling and the random feature selection mechanism, are seen to each distinctively contribute to achieving nearly optimal performance for the model class considered.  ( 2 min )

We study the problem of training diffusion models to sample from a distribution with a given unnormalized density or energy function. We benchmark several diffusion-structured inference methods, including simulation-based variational approaches and off-policy methods (continuous generative flow networks). Our results shed light on the relative advantages of existing algorithms while bringing into question some claims from past work. We also propose a novel exploration strategy for off-policy methods, based on local search in the target space with the use of a replay buffer, and show that it improves the quality of samples on a variety of target distributions. Our code for the sampling methods and benchmarks studied is made public at https://github.com/GFNOrg/gfn-diffusion as a base for future work on diffusion models for amortized inference.  ( 2 min )

In many problems, the measured variables (e.g., image pixels) are just mathematical functions of the hidden causal variables (e.g., the underlying concepts or objects). For the purpose of making predictions in changing environments or making proper changes to the system, it is helpful to recover the hidden causal variables $Z_i$ and their causal relations represented by graph $\mathcal{G}_Z$. This problem has recently been known as causal representation learning. This paper is concerned with a general, completely nonparametric setting of causal representation learning from multiple distributions (arising from heterogeneous data or nonstationary time series), without assuming hard interventions behind distribution changes. We aim to develop general solutions in this fundamental case; as a by product, this helps see the unique benefit offered by other assumptions such as parametric causal models or hard interventions. We show that under the sparsity constraint on the recovered graph over the latent variables and suitable sufficient change conditions on the causal influences, interestingly, one can recover the moralized graph of the underlying directed acyclic graph, and the recovered latent variables and their relations are related to the underlying causal model in a specific, nontrivial way. In some cases, each latent variable can even be recovered up to component-wise transformations. Experimental results verify our theoretical claims.  ( 2 min )

Proper hyperparameter tuning is essential for achieving optimal performance of modern machine learning (ML) methods in predictive tasks. While there is an extensive literature on tuning ML learners for prediction, there is only little guidance available on tuning ML learners for causal machine learning and how to select among different ML learners. In this paper, we empirically assess the relationship between the predictive performance of ML methods and the resulting causal estimation based on the Double Machine Learning (DML) approach by Chernozhukov et al. (2018). DML relies on estimating so-called nuisance parameters by treating them as supervised learning problems and using them as plug-in estimates to solve for the (causal) parameter. We conduct an extensive simulation study using data from the 2019 Atlantic Causal Inference Conference Data Challenge. We provide empirical insights on the role of hyperparameter tuning and other practical decisions for causal estimation with DML. First, we assess the importance of data splitting schemes for tuning ML learners within Double Machine Learning. Second, we investigate how the choice of ML methods and hyperparameters, including recent AutoML frameworks, impacts the estimation performance for a causal parameter of interest. Third, we assess to what extent the choice of a particular causal model, as characterized by incorporated parametric assumptions, can be based on predictive performance metrics.  ( 3 min )

In domains such as ecological systems, collaborations, and the human brain the variables interact in complex ways. Yet accurately characterizing higher-order variable interactions (HOIs) is a difficult problem that is further exacerbated when the HOIs change across the data. To solve this problem we propose a new method called Local Correlation Explanation (CorEx) to capture HOIs at a local scale by first clustering data points based on their proximity on the data manifold. We then use a multivariate version of the mutual information called the total correlation, to construct a latent factor representation of the data within each cluster to learn the local HOIs. We use Local CorEx to explore HOIs in synthetic and real world data to extract hidden insights about the data structure. Lastly, we demonstrate Local CorEx's suitability to explore and interpret the inner workings of trained neural networks.  ( 2 min )

Length generalization -- the ability to generalize to longer sequences than ones seen during training, and compositional generalization -- the ability to generalize to token combinations not seen during training, are crucial forms of out-of-distribution generalization in sequence-to-sequence models. In this work, we take the first steps towards provable length and compositional generalization for a range of architectures, including deep sets, transformers, state space models, and simple recurrent neural nets. Depending on the architecture, we prove different degrees of representation identification, e.g., a linear or a permutation relation with ground truth representation, is necessary for length and compositional generalization.  ( 2 min )

Many sequential classification tasks are affected by label noise that varies over time. Such noise can cause label quality to improve, worsen, or periodically change over time. We first propose and formalize temporal label noise, an unstudied problem for sequential classification of time series. In this setting, multiple labels are recorded in sequence while being corrupted by a time-dependent noise function. We first demonstrate the importance of modelling the temporal nature of the label noise function and how existing methods will consistently underperform. We then propose methods that can train noise-tolerant classifiers by estimating the temporal label noise function directly from data. We show that our methods lead to state-of-the-art performance in the presence of diverse temporal label noise functions using real and synthetic data.  ( 2 min )

We investigate the computational limits of the memory retrieval dynamics of modern Hopfield models from the fine-grained complexity analysis. Our key contribution is the characterization of a phase transition behavior in the efficiency of all possible modern Hopfield models based on the norm of patterns. Specifically, we establish an upper bound criterion for the norm of input query patterns and memory patterns. Only below this criterion, sub-quadratic (efficient) variants of the modern Hopfield model exist, assuming the Strong Exponential Time Hypothesis (SETH). To showcase our theory, we provide a formal example of efficient constructions of modern Hopfield models using low-rank approximation when the efficient criterion holds. This includes a derivation of a lower bound on the computational time, scaling linearly with $\Max\{$# of stored memory patterns, length of input query sequence$\}$. In addition, we prove its memory retrieval error bound and exponential memory capacity.  ( 2 min )

In this manuscript we investigate the problem of how two-layer neural networks learn features from data, and improve over the kernel regime, after being trained with a single gradient descent step. Leveraging a connection from (Ba et al., 2022) with a non-linear spiked matrix model and recent progress on Gaussian universality (Dandi et al., 2023), we provide an exact asymptotic description of the generalization error in the high-dimensional limit where the number of samples $n$, the width $p$ and the input dimension $d$ grow at a proportional rate. We characterize exactly how adapting to the data is crucial for the network to efficiently learn non-linear functions in the direction of the gradient -- where at initialization it can only express linear functions in this regime. To our knowledge, our results provides the first tight description of the impact of feature learning in the generalization of two-layer neural networks in the large learning rate regime $\eta=\Theta_{d}(d)$, beyond perturbative finite width corrections of the conjugate and neural tangent kernels.  ( 2 min )

Bayesian optimization (BO) offers an elegant approach for efficiently optimizing black-box functions. However, acquisition criteria demand their own challenging inner-optimization, which can induce significant overhead. Many practical BO methods, particularly in high dimension, eschew a formal, continuous optimization of the acquisition function and instead search discretely over a finite set of space-filling candidates. Here, we propose to use candidates which lie on the boundary of the Voronoi tessellation of the current design points, so they are equidistant to two or more of them. We discuss strategies for efficient implementation by directly sampling the Voronoi boundary without explicitly generating the tessellation, thus accommodating large designs in high dimension. On a battery of test problems optimized via Gaussian processes with expected improvement, our proposed approach significantly improves the execution time of a multi-start continuous search without a loss in accuracy.  ( 2 min )

This study investigates the asymptotic dynamics of alternating minimization applied to optimize a bilinear non-convex function with normally distributed covariates. We employ the replica method from statistical physics in a multi-step approach to precisely trace the algorithm's evolution. Our findings indicate that the dynamics can be described effectively by a two--dimensional discrete stochastic process, where each step depends on all previous time steps, revealing a memory dependency in the procedure. The theoretical framework developed in this work is broadly applicable for the analysis of various iterative algorithms, extending beyond the scope of alternating minimization.  ( 2 min )

This study investigates leveraging stochastic gradient descent (SGD) to learn operators between general Hilbert spaces. We propose weak and strong regularity conditions for the target operator to depict its intrinsic structure and complexity. Under these conditions, we establish upper bounds for convergence rates of the SGD algorithm and conduct a minimax lower bound analysis, further illustrating that our convergence analysis and regularity conditions quantitatively characterize the tractability of solving operator learning problems using the SGD algorithm. It is crucial to highlight that our convergence analysis is still valid for nonlinear operator learning. We show that the SGD estimator will converge to the best linear approximation of the nonlinear target operator. Moreover, applying our analysis to operator learning problems based on vector-valued and real-valued reproducing kernel Hilbert spaces yields new convergence results, thereby refining the conclusions of existing literature.  ( 2 min )

Autoencoders are a prominent model in many empirical branches of machine learning and lossy data compression. However, basic theoretical questions remain unanswered even in a shallow two-layer setting. In particular, to what degree does a shallow autoencoder capture the structure of the underlying data distribution? For the prototypical case of the 1-bit compression of sparse Gaussian data, we prove that gradient descent converges to a solution that completely disregards the sparse structure of the input. Namely, the performance of the algorithm is the same as if it was compressing a Gaussian source - with no sparsity. For general data distributions, we give evidence of a phase transition phenomenon in the shape of the gradient descent minimizer, as a function of the data sparsity: below the critical sparsity level, the minimizer is a rotation taken uniformly at random (just like in the compression of non-sparse data); above the critical sparsity, the minimizer is the identity (up to a permutation). Finally, by exploiting a connection with approximate message passing algorithms, we show how to improve upon Gaussian performance for the compression of sparse data: adding a denoising function to a shallow architecture already reduces the loss provably, and a suitable multi-layer decoder leads to a further improvement. We validate our findings on image datasets, such as CIFAR-10 and MNIST.  ( 3 min )

Current clustering priors for deep latent variable models (DLVMs) require defining the number of clusters a-priori and are susceptible to poor initializations. Addressing these deficiencies could greatly benefit deep learning-based scRNA-seq analysis by performing integration and clustering simultaneously. We adapt the VampPrior (Tomczak & Welling, 2018) into a Dirichlet process Gaussian mixture model, resulting in the VampPrior Mixture Model (VMM), a novel prior for DLVMs. We propose an inference procedure that alternates between variational inference and Empirical Bayes to cleanly distinguish variational and prior parameters. Using the VMM in a Variational Autoencoder attains highly competitive clustering performance on benchmark datasets. Augmenting scVI (Lopez et al., 2018), a popular scRNA-seq integration method, with the VMM significantly improves its performance and automatically arranges cells into biologically meaningful clusters.  ( 2 min )

We introduce a method to construct a stochastic surrogate model from the results of dimensionality reduction in forward uncertainty quantification. The hypothesis is that the high-dimensional input augmented by the output of a computational model admits a low-dimensional representation. This assumption can be met by numerous uncertainty quantification applications with physics-based computational models. The proposed approach differs from a sequential application of dimensionality reduction followed by surrogate modeling, as we "extract" a surrogate model from the results of dimensionality reduction in the input-output space. This feature becomes desirable when the input space is genuinely high-dimensional. The proposed method also diverges from the Probabilistic Learning on Manifold, as a reconstruction mapping from the feature space to the input-output space is circumvented. The final product of the proposed method is a stochastic simulator that propagates a deterministic input into a stochastic output, preserving the convenience of a sequential "dimensionality reduction + Gaussian process regression" approach while overcoming some of its limitations. The proposed method is demonstrated through two uncertainty quantification problems characterized by high-dimensional input uncertainties.  ( 2 min )

Score-based generative models (SGMs) aim at estimating a target data distribution by learning score functions using only noise-perturbed samples from the target. Recent literature has focused extensively on assessing the error between the target and estimated distributions, gauging the generative quality through the Kullback-Leibler (KL) divergence and Wasserstein distances. All existing results have been obtained so far for time-homogeneous speed of the noise schedule. Under mild assumptions on the data distribution, we establish an upper bound for the KL divergence between the target and the estimated distributions, explicitly depending on any time-dependent noise schedule. Assuming that the score is Lipschitz continuous, we provide an improved error bound in Wasserstein distance, taking advantage of favourable underlying contraction mechanisms. We also propose an algorithm to automatically tune the noise schedule using the proposed upper bound. We illustrate empirically the performance of the noise schedule optimization in comparison to standard choices in the literature.  ( 2 min )

Collecting large quantities of high-quality data is often prohibitively expensive or impractical, and a crucial bottleneck in machine learning. One may instead augment a small set of $n$ data points from the target distribution with data from more accessible sources like public datasets, data collected under different circumstances, or synthesized by generative models. Blurring distinctions, we refer to such data as `surrogate data'. We define a simple scheme for integrating surrogate data into training and use both theoretical models and empirical studies to explore its behavior. Our main findings are: $(i)$ Integrating surrogate data can significantly reduce the test error on the original distribution; $(ii)$ In order to reap this benefit, it is crucial to use optimally weighted empirical risk minimization; $(iii)$ The test error of models trained on mixtures of real and surrogate data is well described by a scaling law. This can be used to predict the optimal weighting and the gain from surrogate data.  ( 2 min )

Many state-of-the-art causal discovery methods aim to generate an output graph that encodes the graphical separation and connection statements of the causal graph that underlies the data-generating process. In this work, we argue that an evaluation of a causal discovery method against synthetic data should include an analysis of how well this explicit goal is achieved by measuring how closely the separations/connections of the method's output align with those of the ground truth. We show that established evaluation measures do not accurately capture the difference in separations/connections of two causal graphs, and we introduce three new measures of distance called s/c-distance, Markov distance and Faithfulness distance that address this shortcoming. We complement our theoretical analysis with toy examples, empirical experiments and pseudocode.  ( 2 min )

The recent breakthrough successes in machine learning are mainly attributed to scale: namely large-scale attention-based architectures and datasets of unprecedented scale. This paper investigates the impact of training at scale for chess. Unlike traditional chess engines that rely on complex heuristics, explicit search, or a combination of both, we train a 270M parameter transformer model with supervised learning on a dataset of 10 million chess games. We annotate each board in the dataset with action-values provided by the powerful Stockfish 16 engine, leading to roughly 15 billion data points. Our largest model reaches a Lichess blitz Elo of 2895 against humans, and successfully solves a series of challenging chess puzzles, without any domain-specific tweaks or explicit search algorithms. We also show that our model outperforms AlphaZero's policy and value networks (without MCTS) and GPT-3.5-turbo-instruct. A systematic investigation of model and dataset size shows that strong chess performance only arises at sufficient scale. To validate our results, we perform an extensive series of ablations of design choices and hyperparameters.  ( 2 min )

Denoising Diffusion Probabilistic Models (DDPMs) are a very popular class of deep generative model that have been successfully applied to a diverse range of problems including image and video generation, protein and material synthesis, weather forecasting, and neural surrogates of partial differential equations. Despite their ubiquity it is hard to find an introduction to DDPMs which is simple, comprehensive, clean and clear. The compact explanations necessary in research papers are not able to elucidate all of the different design steps taken to formulate the DDPM and the rationale of the steps that are presented is often omitted to save space. Moreover, the expositions are typically presented from the variational lower bound perspective which is unnecessary and arguably harmful as it obfuscates why the method is working and suggests generalisations that do not perform well in practice. On the other hand, perspectives that take the continuous time-limit are beautiful and general, but they have a high barrier-to-entry as they require background knowledge of stochastic differential equations and probability flow. In this note, we distill down the formulation of the DDPM into six simple steps each of which comes with a clear rationale. We assume that the reader is familiar with fundamental topics in machine learning including basic probabilistic modelling, Gaussian distributions, maximum likelihood estimation, and deep learning.  ( 2 min )

This paper contains a recipe for deriving new PAC-Bayes generalisation bounds based on the $(f, \Gamma)$-divergence, and, in addition, presents PAC-Bayes generalisation bounds where we interpolate between a series of probability divergences (including but not limited to KL, Wasserstein, and total variation), making the best out of many worlds depending on the posterior distributions properties. We explore the tightness of these bounds and connect them to earlier results from statistical learning, which are specific cases. We also instantiate our bounds as training objectives, yielding non-trivial guarantees and practical performances.  ( 2 min )

Combining discrete and continuous data is an important capability for generative models. We present Discrete Flow Models (DFMs), a new flow-based model of discrete data that provides the missing link in enabling flow-based generative models to be applied to multimodal continuous and discrete data problems. Our key insight is that the discrete equivalent of continuous space flow matching can be realized using Continuous Time Markov Chains. DFMs benefit from a simple derivation that includes discrete diffusion models as a specific instance while allowing improved performance over existing diffusion-based approaches. We utilize our DFMs method to build a multimodal flow-based modeling framework. We apply this capability to the task of protein co-design, wherein we learn a model for jointly generating protein structure and sequence. Our approach achieves state-of-the-art co-design performance while allowing the same multimodal model to be used for flexible generation of the sequence or structure.  ( 2 min )

An extension of the Hawkes process, the Marked Hawkes process distinguishes itself by featuring variable jump size across each event, in contrast to the constant jump size observed in a Hawkes process without marks. While extensive literature has been dedicated to the non-parametric estimation of both the linear and non-linear Hawkes process, there remains a significant gap in the literature regarding the marked Hawkes process. In response to this, we propose a methodology for estimating the conditional intensity of the marked Hawkes process. We introduce two distinct models: \textit{Shallow Neural Hawkes with marks}- for Hawkes processes with excitatory kernels and \textit{Neural Network for Non-Linear Hawkes with Marks}- for non-linear Hawkes processes. Both these approaches take the past arrival times and their corresponding marks as the input to obtain the arrival intensity. This approach is entirely non-parametric, preserving the interpretability associated with the marked Hawkes process. To validate the efficacy of our method, we subject the method to synthetic datasets with known ground truth. Additionally, we apply our method to model cryptocurrency order book data, demonstrating its applicability to real-world scenarios.  ( 2 min )

\emph{Maximal ancestral graph} (MAGs) is a class of graphical model that extend the famous \emph{directed acyclic graph} in the presence of latent confounders. Most score-based approaches to learn the unknown MAG from empirical data rely on BIC score which suffers from instability and heavy computations. We propose to use the framework of imsets \citep{studeny2006probabilistic} to score MAGs using empirical entropy estimation and the newly proposed \emph{refined Markov property} \citep{hu2023towards}. Our graphical search procedure is similar to \citet{claassen2022greedy} but improved from our theoretical results. We show that our search algorithm is polynomial in number of nodes by restricting degree, maximal head size and number of discriminating paths. In simulated experiment, our algorithm shows superior performance compared to other state of art MAG learning algorithms.  ( 2 min )

Block Principal Component Analysis (Block PCA) of a data matrix A, where loadings Z are determined by maximization of AZ 2 over unit norm orthogonal loadings, is difficult to use for the design of sparse PCA by 1 regularization, due to the difficulty of taking care of both the orthogonality constraint on loadings and the non differentiable 1 penalty. Our objective in this paper is to relax the orthogonality constraint on loadings by introducing new objective functions expvar(Y) which measure the part of the variance of the data matrix A explained by correlated components Y = AZ. So we propose first a comprehensive study of mathematical and numerical properties of expvar(Y) for two existing definitions Zou et al. [2006], Shen and Huang [2008] and four new definitions. Then we show that only two of these explained variance are fit to use as objective function in block PCA formulations for A rid of orthogonality constraints.  ( 2 min )

We propose a novel ensemble method called Riemann-Lebesgue Forest (RLF) for regression. The core idea of RLF is to mimic the way how a measurable function can be approximated by partitioning its range into a few intervals. With this idea in mind, we develop a new tree learner named Riemann-Lebesgue Tree which has a chance to split the node from response $Y$ or a direction in feature space $\mathbf{X}$ at each non-terminal node. We generalize the asymptotic performance of RLF under different parameter settings mainly through Hoeffding decomposition \cite{Vaart} and Stein's method \cite{Chen2010NormalAB}. When the underlying function $Y=f(\mathbf{X})$ follows an additive regression model, RLF is consistent with the argument from \cite{Scornet2014ConsistencyOR}. The competitive performance of RLF against original random forest \cite{Breiman2001RandomF} is demonstrated by experiments in simulation data and real world datasets.  ( 2 min )

Most commonly used $f$-divergences of measures, e.g., the Kullback-Leibler divergence, are subject to limitations regarding the support of the involved measures. A remedy consists of regularizing the $f$-divergence by a squared maximum mean discrepancy (MMD) associated with a characteristic kernel $K$. In this paper, we use the so-called kernel mean embedding to show that the corresponding regularization can be rewritten as the Moreau envelope of some function in the reproducing kernel Hilbert space associated with $K$. Then, we exploit well-known results on Moreau envelopes in Hilbert spaces to prove properties of the MMD-regularized $f$-divergences and, in particular, their gradients. Subsequently, we use our findings to analyze Wasserstein gradient flows of MMD-regularized $f$-divergences. Finally, we consider Wasserstein gradient flows starting from empirical measures and provide proof-of-the-concept numerical examples with Tsallis-$\alpha$ divergences.  ( 2 min )

Kalman Filter (KF) is an optimal linear state prediction algorithm, with applications in fields as diverse as engineering, economics, robotics, and space exploration. Here, we develop an extension of the KF, called a Pathspace Kalman Filter (PKF) which allows us to a) dynamically track the uncertainties associated with the underlying data and prior knowledge, and b) take as input an entire trajectory and an underlying mechanistic model, and using a Bayesian methodology quantify the different sources of uncertainty. An application of this algorithm is to automatically detect temporal windows where the internal mechanistic model deviates from the data in a time-dependent manner. First, we provide theorems characterizing the convergence of the PKF algorithm. Then, we numerically demonstrate that the PKF outperforms conventional KF methods on a synthetic dataset lowering the mean-squared-error by several orders of magnitude. Finally, we apply this method to biological time-course dataset involving over 1.8 million gene expression measurements.  ( 2 min )

We study the optimal transport (OT) problem for measures supported on a graph metric space. Recently, Le et al. (2022) leverage the graph structure and propose a variant of OT, namely Sobolev transport (ST), which yields a closed-form expression for a fast computation. However, ST is essentially coupled with the $L^p$ geometric structure within its definition which makes it nontrivial to utilize ST for other prior structures. In contrast, the classic OT has the flexibility to adapt to various geometric structures by modifying the underlying cost function. An important instance is the Orlicz-Wasserstein (OW) which moves beyond the $L^p$ structure by leveraging the \emph{Orlicz geometric structure}. Comparing to the usage of standard $p$-order Wasserstein, OW remarkably helps to advance certain machine learning approaches. Nevertheless, OW brings up a new challenge on its computation due to its two-level optimization formulation. In this work, we leverage a specific class of convex functions for Orlicz structure to propose the generalized Sobolev transport (GST). GST encompasses the ST as its special case, and can be utilized for prior structures beyond the $L^p$ geometry. In connection with the OW, we show that one only needs to simply solve a univariate optimization problem to compute the GST, unlike the complex two-level optimization problem in OW. We empirically illustrate that GST is several-order faster than the OW. Moreover, we provide preliminary evidences on the advantages of GST for document classification and for several tasks in topological data analysis.  ( 2 min )

Multidimensional scaling (MDS) is the act of embedding proximity information about a set of $n$ objects in $d$-dimensional Euclidean space. As originally conceived by the psychometric community, MDS was concerned with embedding a fixed set of proximities associated with a fixed set of objects. Modern concerns, e.g., that arise in developing asymptotic theories for statistical inference on random graphs, more typically involve studying the limiting behavior of a sequence of proximities associated with an increasing set of objects. Standard results from the theory of point-to-set maps imply that, if $n$ is fixed, then the limit of the embedded structures is the embedded structure of the limiting proximities. But what if $n$ increases? It then becomes necessary to reformulate MDS so that the entire sequence of embedding problems can be viewed as a sequence of optimization problems in a fixed space. We present such a reformulation and derive some consequences.  ( 2 min )

We propose a comprehensive sample-based method for assessing the quality of generative models. The proposed approach enables the estimation of the probability that two sets of samples are drawn from the same distribution, providing a statistically rigorous method for assessing the performance of a single generative model or the comparison of multiple competing models trained on the same dataset. This comparison can be conducted by dividing the space into non-overlapping regions and comparing the number of data samples in each region. The method only requires samples from the generative model and the test data. It is capable of functioning directly on high-dimensional data, obviating the need for dimensionality reduction. Significantly, the proposed method does not depend on assumptions regarding the density of the true distribution, and it does not rely on training or fitting any auxiliary models. Instead, it focuses on approximating the integral of the density (probability mass) across various sub-regions within the data space.  ( 2 min )

Offline reinforcement learning (RL) aims to learn a policy that maximizes the expected cumulative reward using a pre-collected dataset. Offline RL with low-rank MDPs or general function approximation has been widely studied recently, but existing algorithms with sample complexity $O(\epsilon^{-2})$ for finding an $\epsilon$-optimal policy either require a uniform data coverage assumptions or are computationally inefficient. In this paper, we propose a primal dual algorithm for offline RL with low-rank MDPs in the discounted infinite-horizon setting. Our algorithm is the first computationally efficient algorithm in this setting that achieves sample complexity of $O(\epsilon^{-2})$ with partial data coverage assumption. This improves upon a recent work that requires $O(\epsilon^{-4})$ samples. Moreover, our algorithm extends the previous work to the offline constrained RL setting by supporting constraints on additional reward signals.  ( 2 min )

Mamba is a state space model with data-dependent coefficients. It is originally trained with associative scan, with currently is not supported directly by pytorch, hence why the authors wrote custom cuda kernels for it (which has the additional benefit of kernel fusion). To simplify this, someone wrote a minimal version of mamba in one file, where the associative scan operation is replaced by a for loop, which sacrifices efficiency for simplicity of implementation. However, I think there is a way to implement mamba in pure pytorch without losing too much efficiency, and that is to use cumulative sums which pytorch efficiently supports. This implementation is encapsulated in my rather simple commit over the minimal mamba repo, which provides around 14 times speedup over the minimal for loop implementation (with a bit less code). The correctness of also verified by comparing with the outputs of the for loop implementation. The high level idea is basically to "decompose" the original parallel scan down to the ratio of two cumulative sums, retaining the same time complexity O(n) and parallel efficiency O(logn) of associative scans. submitted by /u/dna961010 [link] [comments]

So I want to build a pc for ML, and I'm really more interested in RL I was gifted a 7900gre so gpu is already set even though I know NVidia is superior in this market im kinda hoping amd is stepping up with ROCm or some other open magic they have, so that this GPU is at least decent (if I could get a comparison to any NVidia GPU it would be amazing so that i know where i stand with it, as in is it better than a 3060 ? all things considered) next up ram and CPU, im wondering how much does cpu count, thread count, cpu clock, cache size matter for RL, im was kinda looking into a 7600x(if it doesnt really matter)/ 7700(if it kinda matters), or a 7900x if it's really important, also was looking into 32 gb of ram or 64 if it's really important (does speed matter ?) I know this post is all over the place but I'm not sure how to structure it and I have many questions, overall how much does a cpu/ ram affect ML/RL applications? submitted by /u/AnalSpecialist [link] [comments]

Background: I have been fascinated by A.I for a bit of time now, and since i finished my batchelor, I took a master with quite a few a.i options, gone through supervised learning, liked it quite a bit, and I reached the point where I have a reinforcement learning course, and I absolutely love it, I found myself studying ahead, and looking online for more and more questions I have gone through: qlearning, dqn, double dqn, dueling dqn, rainbow dqn, DGP, DDGP,PPO,A2C,A3C and on my list I have Hierarhical reinforcement For most of them I understand how it all works, though i have to admit im still a bit fuzzy on things like dueling DQN (i get what is different, and why it's done, but it doesnt feel natural to me) Does this give me enough of a basis to do a good enough project for my course ?(teacher mentioned that if it's good enough we could turn it into a research paper or sth, and i'm kinda planning to do my masters thesis on RL) I guess all my questions turn to: Is this enough for now, what other areas should I explore, and what is "Good Enough"? submitted by /u/AnalSpecialist [link] [comments]

So I want to build a pc for ML, and I'm really more interested in RL I was gifted a 7900gre so gpu is already set even though I know NVidia is superior in this market im kinda hoping amd is stepping up with ROCm or some other open magic they have, so that this GPU is at least decent (if I could get a comparison to any NVidia GPU it would be amazing so that i know where i stand with it, as in is it better than a 3060 ? all things considered) next up ram and CPU, im wondering how much does cpu count, thread count, cpu clock, cache size matter for RL, im was kinda looking into a 7600x(if it doesnt really matter)/ 7700(if it kinda matters), or a 7900x if it's really important, also was looking into 32 gb of ram or 64 if it's really important (does speed matter ?) I know this post is all over the place but I'm not sure how to structure it and I have many questions, overall how much does a cpu/ ram affect ML/RL applications? submitted by /u/AnalSpecialist [link] [comments]

I'd like to turn myself Indian using AI to see if I'd blend in. I need it for a greater project. Any apps/websites I could use? submitted by /u/xX_MLGgamer420_Xx [link] [comments]

Hello, I have a paper and want to publish it, the proceedings dates already passed and I think the paper also may not be accepted at a proceeding because the results are applied to small datasets. So is it better to publish it in a q1 journal or a workshop for a top conference and also how to know if the workshop is good as they are many? The paper is very good so it can be accepted easily to a Q1 journal but I have already papers in Q1 journal, so I needed to know which is better for me to publish into? submitted by /u/Professional_Mud4298 [link] [comments]

Dear colleagues, Ever encountered an AI that cleverly outmaneuvered your experimental design, or revealed unexpected flaws in your reward functions? We (Aaron Dharna, Joel Lehman, Victoria Krakovna, and Jeff Clune) are writing a paper about how AI Finds A Way to surprise us. We're gathering such stories to expand our previous work The Surprising Creativity of Digital Evolution: https://arxiv.org/abs/1803.03453 to the deep learning setting, highlighting the importance of AI safety and the unpredictable nature of our work. We aim to record the true accounts of as many anecdotes as possible regarding AI (of any type, including RL, ML, etc.) surprising its creators and users. Therefore, your experiences are crucial for this endeavor. We hope you can help create a definitive account of these fascinating and sometimes ominous anecdotes so we can inform AI safety discussions, either by submitting and/or spreading the word of this Call for Anecdotes. By contributing, you'll help foster a deeper understanding within our community and beyond. Please send your anecdotes to aifindsaway@gmail.com by March 1st, 2024. Please feel free to share the following call far and wide: https://docs.google.com/document/d/1BhRWzkIYRUDjU5zon-ILXINPL4VqZp2JZXNsTjekBPk/edit?usp=sharing Let's illuminate the path forward together with insights from our collective research adventures. Cheers tl;dr Please submit (to aifindsaway@gmail.com) any stories you know of where AI acted in a way that surprised its creators, especially if it could be seen as unsafe (e.g. hacking a reward function, finding a loophole in an environment or experimental design, goal misgeneralization, etc.). submitted by /u/aadharna [link] [comments]

Hello Community, I have PC with Nvidia RTX 3080, and I want to start building models in TensorFlow and train on my GPU. Did anyone have hands-on TF on both Windows WSL 2 and Ubuntu? What are the pros and cons you experienced? Your experiences will help me decide if I should do a dual boot or stick with Windows 11. Thanks in advance. ​ submitted by /u/rock1ee_1 [link] [comments]

Sorry if this is off topic but I really need some advice. What do I need on my resume to get a ML engineer job will be a recent MS in AI/Robotics grad this June with 1.5-2 years of software engineering experience. I have no prior experience with machine learning apart from the courses and the projects I’ve done on those courses and a masters project that I am currently working on. What’s the best way to improve my resume or what did you do that helped you break into ML jobs. I’m so clueless atp as I don’t know anyone irl who work in ML I can go to for advice. Any help is hugely appreciated. submitted by /u/Theme_Spiritual [link] [comments]

With Gemini and LlamaIndex, the possibilities for AI-driven applications are truly limitless. In this article, we will implement a Multimodal use case basic example using Gemini Pro Vision and LlamaIndex Introduction to Gemini and LlamaIndex Artificial intelligence (AI) and large language models (LLMs) are at the forefront of innovation in today's rapidly evolving world. As the demand for smarter machines continues to grow, so does the need for AI models that can understand and interact with various types of information. Enter Gemini, one of the latest breakthroughs at Google DeepMind. Gemini is a cutting-edge AI model that seamlessly processes different data types, including text, code, audio, images, and video. This multimodal capability represents a significant step forward in creati…

The MoCo paper compares the performance after end-to-end pretraining (both queries and keys come from the online encoder), after the proper MoCo pretraining, and with a memory bank (only the query come from the online encoder, older queries come from older encoders). The end-to-end training gives the same accuracy of MoCo as a function of number of keys in queue / batch size, but batch size can't grow as large on common hardware. The memory bank training gives a lower accuracy and the authors say this confirms their hypothesis that the older keys are inconsistent with queries and new keys, but I don't get it! The accuracy grows with the same type of function of the queue length, as with the momentum encoder, and the more (and the older and supposedly less consistent) the keys, the better the accuracy, but just 2% points below. It had to get worse, or have proportionally lesser returns with the growth of the queue, to confirm the authors' hypothesis, right? Momentum is not convincing in this case, whereas in DINO it has a different interpretation and purpose that sounds right (and performance is way better apparently) submitted by /u/reverendCappuccino [link] [comments]

Perhaps my (re)searching skills are not the best, but I couldn't find any papers tackling fine-art painting classification as a few-shot problem. Is it because it does not make sense to do so? Am I missing something? I just started looking into few-shot learning, and, from what I understand, it seems like this is a good case scenario to use it. submitted by /u/hellounderweinewr [link] [comments]

Hi everyone! We just published part 2 of our series focusing on improving LLM security against prompt injection. In this release, we’re doing a deeper dive into transformers, attention, and how these topics play a role in prompt injection attacks. This post aims to provide more under-the-hood context about why prompt injection attacks are effective, and why they’re so difficult to mitigate. Improving LLM Security Against Prompt Injection: AppSec Guidance For Pentesters and Developers – Part 2 submitted by /u/IncludeSec [link] [comments]

Abstract: Starting around 6 to 9 months of age, children begin acquiring their first words, linking spoken words to their visual counterparts. How much of this knowledge is learnable from sensory input with relatively generic learning mechanisms, and how much requires stronger inductive biases? Using longitudinal head-mounted camera recordings from one child aged 6 to 25 months, we trained a relatively generic neural network on 61 hours of correlated visual-linguistic data streams, learning feature-based representations and cross-modal associations. Our model acquires many word-referent mappings present in the child’s everyday experience, enables zero-shot generalization to new visual referents, and aligns its visual and linguistic conceptual systems. These results show how critical aspects of grounded word meaning are learnable through joint representation and associative learning from one child’s input. Paper (paywalled): https://www.science.org/doi/10.1126/science.adi1374 Paper (unpaywalled): https://www.reddit.com/r/Scholar/comments/1ajq8g7/comment/kp47j9y/ submitted by /u/StartledWatermelon [link] [comments]

we see tons of works in LLM-based agent which can perform tasks on web applications such as webshop, webarena, agentbenchetc... also, we can find following works on reflexion-based agent which intakes the feedbacks and errors from previous trials from the interactions with the environment. the typical work is Reflexion: Language Agents with Verbal Reinforcement Learning within each trial, the agent, or say, llm, digests the prompt which contains not only history from current trial but also the system info or feedbacks or error messages from previous trials. The feedbacks could come from system setting or from another more powerful LLM that can act as a super judge to give feedbacks. anyway, I do not think this is RL since there is no learning process for the agent, but a concat of prompt. My primary concern is that is this label leakage ? The agent get feedbacks from the environment and with more trials, of course, the agent should have a more clear approach to the final answer. So what is the point ? I see a post which shares my same concern: noahshinn/reflexion: [NeurIPS 2023] Reflexion: Language Agents with Verbal Reinforcement Learning (github.com) ​ Would like to hear from you in view of academic and industry. ​ ​ ​ ​ submitted by /u/yanancc [link] [comments]

Title: Long Is More for Alignment: A Simple but Tough-to-Beat Baseline for Instruction Fine-Tuning Paper: https://arxiv.org/abs/2402.04833 Abstract: There is a consensus that instruction fine-tuning of LLMs requires high-quality data, but what are they? LIMA (NeurIPS 2023) and AlpaGasus (ICLR 2024) are state-of-the-art methods for selecting such high-quality examples, either via manual curation or using GPT-3.5-Turbo as a quality scorer. We show that the extremely simple baseline of selecting the 1,000 instructions with longest responses from standard datasets can consistently outperform these sophisticated methods according to GPT-4 and PaLM-2 as judges, while remaining competitive on the OpenLLM benchmarks that test factual knowledge. We demonstrate this for several state-of-the-art LLMs (Llama-2-7B, Llama-2-13B, and Mistral-7B) and datasets (Alpaca-52k and Evol-Instruct-70k). In addition, a lightweight refinement of such long instructions can further improve the abilities of the fine-tuned LLMs, and allows us to obtain the 2nd highest-ranked Llama-2-7B-based model on AlpacaEval 2.0 while training on only 1,000 examples and no extra preference data. We also conduct a thorough analysis of our models to ensure that their enhanced performance is not simply due to GPT-4's preference for longer responses, thus ruling out any artificial improvement. In conclusion, our findings suggest that fine-tuning on the longest instructions should be the default baseline for any research on instruction fine-tuning. submitted by /u/m_andriushchenko [link] [comments]

Hi all, I was recently working on an ML project for my university thesis and ran into the issue of having to manage multiple different models. I was mainly doing everything through colab, but I had to switch between multiple tabs because I was running out of RAM and each model had different package requirements. The whole thing was a complete mess, took me forever to get to my own model dev. Was wondering if others have encountered similar issues / if there are existing solutions for something like this Thanks submitted by /u/Fun_Win_6054 [link] [comments]

I was looking at training a diffusion model using RLHF, and was looking at this paper kvablack/ddpo-pytorch: DDPO for finetuning diffusion models, implemented in PyTorch with LoRA support (github.com), but the code itself just seems to be backpropagating the unet based on a fancy(and differentiable at first glance!) loss function. What distinguishes reinforcement learning from just normal model training? Are the two the same and is it merely a matter of terminology? Copying the relevant code here? for i, sample in tqdm( list(enumerate(samples_batched)), desc=f"Epoch {epoch}.{inner_epoch}: training", position=0, disable=not accelerator.is_local_main_process, ): if config.train.cfg: # concat negative prompts to sample prompts to avoid two forward passes embeds = torch.cat( [train_neg_prom…

https://arxiv.org/abs/2401.01836 I came across this paper where NODEC is implemented for optimal control of unknown dynamical system and I was wondering what other approaches we can use for similar problems. I am aware of Reinforcement Learning but I am looking for something more data eficient. Is representation learning or Imitation learning possible? Or any other way to improve the result? submitted by /u/Striking-Cricket788 [link] [comments]

I'm halfway through my ML PhD. I was quite lucky and got into a good program, especially in a good lab where students are superstars and get fancy jobs upon graduation. I'm not one of them. I have one crappy, not-so-technical publication and I'm struggling to find a new problem that is solvable within my capacity. I've tried hard. I've been doing research throughout my undergrad and masters, doing everything I could – doing projects, reading papers, taking ML and math courses, writing grants for professors... The thing is, I just can't reach the level of generating new ideas. No matter how hard I try, it just ain't my thing. I think why. I begin to wonder if STEM wasn't my thing in the first place. I look around and there are people whose brain simply "gets" things easier. For me, it requires extra hard working and extra time. During undergrad, I could get away with studying harder and longer. Well, not for PhD. Especially not in this fast-paced, crowded field where I need to take in new stuff and publish quickly. I'm an imposter, and this is not a syndrome. I'm getting busted. Everybody else is getting multiple internship offers and all that. I'm getting rejected from everywhere. It seems now they know. They know I'm useless. Would like to say this to my advisor but he's such a genius that he doesn't get the mind of the commoner. All my senior labmates are full-time employed, so practically I'm the most senior in my lab right now. submitted by /u/rsfhuose [link] [comments]

A curated reading list for the adversarial perspective in deep reinforcement learning. https://github.com/EzgiKorkmaz/adversarial-reinforcement-learning submitted by /u/ml_dnn [link] [comments]

submitted by /u/Elven77AI [link] [comments]

https://preview.redd.it/6tguxx3v1dhc1.png?width=1178&format=png&auto=webp&s=4f1b7b9a25d3a9b2738ad945e8beb1347cb93447 💻 Today Google is launching Gemini Advanced — a new experience that gives you access to Ultra 1.0, their largest and most capable state-of-the-art AI model. In blind evaluations with third-party raters, Gemini Advanced with Ultra 1.0 is now the most preferred chatbot compared to leading alternatives. 🚀 With Google's Ultra 1.0 model, Gemini Advanced is far more capable at highly complex tasks like coding, logical reasoning, following nuanced instructions, and collaborating on creative projects. 🤖 Gemini Advanced not only allows users to have longer, more detailed conversations; it also better understands the context from previous prompts. For example: 💡 Gemini Advanc…

I have a multi-class problem where the label vector can be like [ 0, 1, 0, 0, 1] , as in multiple classes can be true at the same time. What kind of loss function should i used, as in pytorch Crossentropy you can only pass only 1 correct column as target. First thing that came into my mind was convert the target vector in a probability distribution like [0, 0.5, 0, 0, 0.5] and apply KLDivergence Loss. Will this workout or is there any way we can pass multicorrect labels into pytorch cross entropy submitted by /u/Severe_Difficulty_32 [link] [comments]

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submitted by /u/hardmaru [link] [comments]

I’ve read a lot of things saying “don’t do a PhD unless you are absolutely certain you want to”, but I am uncertain. My motives are mainly for it to open more doors in industry. I want to become a research scientist/ML engineer/data science or even quant roles but these roles are increasingly harder to get without advanced degrees. I should mention my undergrad degree is NOT in CS, although I have research experience in ML and have taken a few math/stats courses (linear alg, stats, probability, calc). My question is: 1) Is the opportunity cost of 4-6 years of an ML PhD (as opposed to starting out in lower entry job roles like data analytics and working upwards from there) worth it to open more doors in industry? 2) How likely am I able to get a research scientist position without a PhD? 3) I may also want to eventually pivot to startups (perhaps after industry or immiediately). In this case ik a PhD won’t help much. But taking everything into account (the fact that I am uncertain of what I will do and want), can a PhD be a route to figure out what I want meanwhile? I get the feeling that PhD isnt worth it for just DS/MLE or even quant roles. Tho not even mentioning research scientist, the chances of me even landing one of those roles are hard with a bachelors nowadays. I applied to tons of data science jobs and no response -- which is why i was thinking a PhD may finally grab some attention. submitted by /u/Character-Capital-70 [link] [comments]

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I have a debate in British parliamentary format in a few days and it discusses artificial intelligence, specifically AI art. Here is my argument It is quite obvious that artificial intelligence is integrating rapidly into human life. This includes the art industry, a representation of the times we live in through vivid illustration. AI art is not only real art, it is art that showcases our innovation as a society and we must not abandon it or regret its spread accross mainstream media. The opposing side believes insert points the opposing side made. However, they are gravely mistaken. Insert rebuttals here Moreover, I shall now proceed to elaborate extensively on the intrinsic value found within art generated by Artificial Intelligence. To prove this, let's say if art gains value from …

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Hello. I found Kits (I've heard of RVC but I think my computer is a bit outdated to run it well), but I need a vocal model. I can't figure out how to make one. I get what cloning is and I have some really clean vocal samples (speaking not singing. I want to make them sing, like how people are taking all kinds of voices from shows and such and making them sing even if they don't have samples of the character singing) but I don't know how to make them into a model for Kits or other programs/sites to use. I also already have songs with isolated vocals and music to fix in audacity, I just need to know how to make an AI vocal model in zip format so that I can add it to Kits. Every tutorial I see covers what to use once you have that model but not how to make the model itself with a 10 minute or 30 minute sample. Also free sites/programs (like a starter that allows you to test) recommendations please if at all possible. I don't mind paying if it's good, but I want to be able to try a model or two before that. submitted by /u/Vast_Description_206 [link] [comments]

There's a lot of talk about governments throughout the world building their own ais primarily for the purpose of national security. among these are the governments of the u.s., china, india, the u.k. and france. it's said that this is why pausing or halting ai development is not a viable option. no country can afford to be left behind. government ais, however, perhaps with the exception of countries like china that maintain very close ties with private businesses, will for the most part be involved in security matters that have a little impact on the everyday lives of the citizens of those countries. at least in times of peace. the same cannot, however, be said for ais developed expressly for the private citizens and businesses of these countries. this is where the main battles of the ai arms race will be waged imagine, for example, if business interests in china were first in the world to develop an agi that was so successful at picking stocks that they were able to corner the world's financial markets. that success would soon after result in massive transfers of wealth from all other countries to china. such transfers would improve the quality of life in china, and reduce it in every other country. such transfers could become so substantial that the global community begin to consider creating a new system of wealth allocation between the countries of the world. because of such a prospect, it is in everyone's interest everywhere to neither pause nor halt ai development, but rather to move on it full speed ahead. submitted by /u/Georgeo57 [link] [comments]

Managing Pinecone DB deployments is a thing of the past!!! 💃 🥇Some noteworthy features 🥇 Handles CRUDs for both Pod and Serverless Spec indexes Deploy multiple indexes at the same time with isolated state management Adheres to AWS-defined removal policies (DESTROY, SNAPSHOT, etc.) Creates stack-scoped index names, to avoid name collisions 🙌 It's still in beta, so feedback is more than welcome! 🫶 Github PyPi NPM submitted by /u/Johnluhot [link] [comments]

Geniusrise is a framework for building AI applications. Currently, it supports amost all open source text and audio models, vision and multi-modal are on the way. It also comes with an ecosystem of components - e.g. hosting inference APIs fine-tuning bulk inference hosting notebooks The CLI can be used to host models on local or package and deploy to kubernetes. The CLI tries to wrap around all operations of the components, as is both a framework for building and a AI/ML-Ops tool for managing the components. Code: https://github.com/geniusrise Docs: https://docs.geniusrise.ai Examples: https://github.com/geniusrise/examples Some feedback will go a long way. Thanks for reading! submitted by /u/dataxaar [link] [comments]

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submitted by /u/vinaylovestotravel [link] [comments]

OpenAI’s image generator DALL-E 3 to add watermarks to images.[1] Ikea’s AI assistant gives design inspiration — at least it tries to.[2] Popular AI models were put into a war games scenario, and GPT-3.5 and Llama 2 went nuclear.[3] Microsoft partners with India’s Sarvam AI for voice-based genAI tools.[4] Sources: [1] https://readwrite.com/openais-image-generator-dall-e-3-to-add-watermarks-to-images/ [2] https://www.theverge.com/2024/2/6/24063626/ikea-ai-assistant-gpt-chatbot-home-design [3] https://www.tweaktown.com/news/96081/popular-ai-models-were-put-into-war-games-scenario-and-gpt-3-5-llama-2-went-nuclear/index.html [4] https://www.channelnewsasia.com/business/microsoft-partners-indias-sarvam-ai-voice-based-genai-tools-4109501 submitted by /u/Excellent-Target-847 [link] [comments]

I would like to start off with I know the bare minimum when it comes to coding. I'm pretty good with computers in general and have always been able to do something with enough googling. I recently read an article about Samsung that talked about a fridge that they had at CES that used cameras to identify 33 food items and track what they are, nutritional information, spoil time, and stock. I have been pretty hands off with AI while keeping up with all of the newest improvements so once I saw that it was going to have only 33 food items and also be set up to be used in the samsung environment I wondered "can I do better?" So I booted up my laptop, downloaded vscode, python, and launched chat gpt. I figured that I could at the least bit learn something about python if nothing else. Well in…

So basically I’m guessing you will find videos with this color in it represented in all ways like clothing, the ground, and just anything in the picture. But why is it taking so long and why is it just a color? How long until we get vibes that actually accurately vibe those vibes. submitted by /u/WebexBlack [link] [comments]

NVIDIA has joined the National Institute of Standards and Technology’s new U.S. Artificial Intelligence Safety Institute Consortium as part of the company’s effort to advance safe, secure and trustworthy AI. AISIC will work to create tools, methodologies and standards to promote the safe and trustworthy development and deployment of AI. As a member, NVIDIA will Read Article  ( 5 min )

The GeForce NOW anniversary celebrations continue with more games and a member-exclusive discount on the Logitech G Cloud. Among the six new titles coming to the cloud this week is The Inquisitor from Kalypso Media, which spotlights the GeForce NOW anniversary with a special shout-out. “Congrats to four years of empowering gamers to play anywhere, Read Article  ( 6 min )

Hello everyone, Currently dealing with a dataset only containing numerical features. The idea here is to predict house prices across different districts in the US. Most the information that I have is in numeric format. My issue with the data comes with the target variable the price column that ranges from 75000 until more or less 77700000 when the other variables only range from 0 to 1000. When looking up papers most mention that there is no reason to scale the target as there is no benefit in doing so. Issue is when I train the model a neural net in this case I get something like this: Epoch 1/100 139/139 [==============================] - 1s 3ms/step - loss: 425583738880.0000 - mse: 425583738880.0000 - val_loss: 398226030592.0000 - val_mse: 398225965056.0000 Epoch 2/100 139/139 [==============================] - 0s 2ms/step - loss: 425583509504.0000 - mse: 425583509504.0000 - val_loss: 398225899520.0000 - val_mse: 398225899520.0000 Measure Train Test 0 MSE 4.201119e+11 4.532716e+11 1 MAE 5.378588e+05 5.494696e+05 2 R-squared -2.211378e+00 -1.994764e+00 My idea would be does something like this make sense? scaler = StandardScaler() X_train = scaler.fit_transform(X_train) X_test = scaler.transform(X_test) y_train = scaler.fit_transform(y_train.values.reshape(-1, 1)) y_test = scaler.transform(y_test.values.reshape(-1, 1)) What would be the best approach for this scenario? What would I do with the target variable? Thank you submitted by /u/Minute-Fix-1493 [link] [comments]

When you add a comment to a LaTeX file, it makes no visible change to the output. The comment is ignored as far as the appearance of the file. But is that comment somehow included in the file anyway? If you compile a LaTeX file to PDF, then edit it by throwing in a comment, […] Do comments in a LaTeX file change the output? first appeared on John D. Cook.  ( 6 min )

When you create a PDF file, what you see is not all you get. There is metadata embedded in the file that might be useful. It also might reveal information you’d rather not reveal. The previous post looked at just the time stamp on a file. This post will look at more metadata, focusing on […] Your PDF may reveal more than you intend first appeared on John D. Cook.  ( 6 min )

If you save a file as a PDF twice, you won’t get exactly the same file both times. To illustrate this, I created an LibreOffice document containing “Hello world.” and saved it twice, first as humpty.pdf then as dumpty.pdf. Then I compared the two files. % diff humpty.pdf dumpty.pdf Binary files humpty.pdf and dumpty.pdf differ […] If you save a file as PDF twice, you get two different files first appeared on John D. Cook.  ( 6 min )

Generative AI agents are a versatile and powerful tool for large enterprises. They can enhance operational efficiency, customer service, and decision-making while reducing costs and enabling innovation. These agents excel at automating a wide range of routine and repetitive tasks, such as data entry, customer support inquiries, and content generation. Moreover, they can orchestrate complex, […]  ( 19 min )

https://arxiv.org/abs/2401.01836 I came across this paper where NODEC is implemented for optimal control of unknown dynamical system and I was wondering what other approaches we can use for similar problems. I am aware of Reinforcement Learning but I am looking for something more data eficient. Is representation learning or Imitation learning possible? Or any other way to improve the result? submitted by /u/Striking-Cricket788 [link] [comments]

I started a PhD 3 months ago about RL/IL and I wanted to know what are the must-know algorithms to not be limited by my lack of knowledge. Of course I could learn them all, but there are too many and I'm note sure if that's useful. Currently I already know the mechanisms and equations of Q learning, SARSA, DQN and PPO. What would you advise next? submitted by /u/Ybrik410 [link] [comments]

Hello, I am a graduate student who is interested in the field of continual RL. I wanted to get information about various papers about this field so I created an awesome repository. Please feel free to give me any advices!! ​ https://github.com/windust7/awesome-continual-reinforcment-learning submitted by /u/Mission-Lawyer1787 [link] [comments]

I've been trying to make a DQN to tackle tic-tac-toe. I was successful, so I am trying to improve it by adding prioritized experience replay. Before getting to the actual PER, I just wanted to start doing the random sampling myself. Previously, I let TensorFlow do the sampling by the following code: history = self.brain.fit(state_arr, qValueEstimates, batch_size=self.trainingBatchSize, verbose=0) For clarity: state_arr is MxS, where S is the size of the 1D shape array, and M is the size of the experience replay. qValueEstimates is MxA, where A is the size of the 1D action array. ​ When I change the code to this: population = range(M) sampleIndices = random.sample(population, self.trainingBatchSize) history = self.brain.fit(state_arr[sampleIndices], qValueEstimates[sampleIndices], batch_size=self.trainingBatchSize, verbose=0) This runs, but the algorithm no longer learns. Is the python library not random enough? I am lost on what could be the issue here. submitted by /u/Garjiglio [link] [comments]

I was looking at the efficient zero implementation and I notice that their dynamics network compresses the input by one channel through conv layers However they then add the original x in an residual/identity operation but without the last channel I was wondering why this is? Edit: digging further it seems they append the action to the state so they remove the action before the cnn to have an identity state value submitted by /u/proturtle46 [link] [comments]

The key challenge in the noisy intermediate-scale quantum era is finding useful circuits compatible with current device limitations. Variational quantum algorithms (VQAs) offer a potential solution by fixing the circuit architecture and optimizing individual gate parameters in an external loop. However, parameter optimization can become intractable, and the overall performance of the algorithm depends heavily on the initially chosen circuit architecture. Several quantum architecture search (QAS) algorithms have been developed to design useful circuit architectures automatically. In the case of parameter optimization alone, noise effects have been observed to dramatically influence the performance of the optimizer and final outcomes, which is a key line of study. However, the effects of noise on the architecture search, which could be just as critical, are poorly understood. This work addresses this gap by introducing a curriculum-based reinforcement learning QAS (CRLQAS) algorithm designed to tackle challenges in realistic VQA deployment. The algorithm incorporates (i) a 3D architecture encoding and restrictions on environment dynamics to explore the search space of possible circuits efficiently, (ii) an episode halting scheme to steer the agent to find shorter circuits, and (iii) a novel variant of simultaneous perturbation stochastic approximation as an optimizer for faster convergence. To facilitate studies, we developed an optimized simulator for our algorithm, significantly improving computational efficiency in simulating noisy quantum circuits by employing the Pauli-transfer matrix formalism in the Pauli-Liouville basis. Numerical experiments focusing on quantum chemistry tasks demonstrate that CRLQAS outperforms existing QAS algorithms across several metrics in both noiseless and noisy environments.  ( 3 min )

Deep probabilistic time series forecasting has gained attention for its superior performance in nonlinear approximation and its capability to offer valuable uncertainty quantification for decision-making. However, existing models often oversimplify the problem by assuming a time-independent error process, overlooking serial correlation. To overcome this limitation, we propose an innovative training method that incorporates error autocorrelation to enhance probabilistic forecasting accuracy. Our method constructs a mini-batch as a collection of $D$ consecutive time series segments for model training. It explicitly learns a time-varying covariance matrix over each mini-batch, encoding error correlation among adjacent time steps. The learned covariance matrix can be used to improve prediction accuracy and enhance uncertainty quantification. We evaluate our method on two different neural forecasting models and multiple public datasets. Experimental results confirm the effectiveness of the proposed approach in improving the performance of both models across a range of datasets, resulting in notable improvements in predictive accuracy.  ( 2 min )

Low-rank adaptation (LoRA) has emerged as a new paradigm for cost-efficient fine-tuning of large language models (LLMs). However, fine-tuned LLMs often become overconfident especially when fine-tuned on small datasets. Bayesian methods, with their inherent ability to estimate uncertainty, serve as potent tools to mitigate overconfidence and enhance calibration. In this work, we introduce Laplace-LoRA, which applies a Bayesian approach to the LoRA parameters. Specifically, Laplace-LoRA applies a Laplace approximation to the posterior over the LoRA parameters, considerably improving the calibration of fine-tuned LLMs.  ( 2 min )

Exploring the application of large language models (LLMs) to graph learning is a emerging endeavor. However, the vast amount of information inherent in large graphs poses significant challenges to this process. This work focuses on the link prediction task and introduces $\textbf{LPNL}$ (Link Prediction via Natural Language), a framework based on large language models designed for scalable link prediction on large-scale heterogeneous graphs. We design novel prompts for link prediction that articulate graph details in natural language. We propose a two-stage sampling pipeline to extract crucial information from the graphs, and a divide-and-conquer strategy to control the input tokens within predefined limits, addressing the challenge of overwhelming information. We fine-tune a T5 model based on our self-supervised learning designed for link prediction. Extensive experimental results demonstrate that LPNL outperforms multiple advanced baselines in link prediction tasks on large-scale graphs.  ( 2 min )

We explore the critical data size in language models, a threshold that marks a fundamental shift from quick memorization to slow generalization. We formalize the phase transition under the grokking configuration into the Data Efficiency Hypothesis and identify data insufficiency, sufficiency, and surplus regimes in language models training dynamics. We develop a grokking configuration to reproduce grokking on simplistic language models stably by rescaling initialization and weight decay. We show that generalization occurs only when language models reach a critical size. We analyze grokking across sample-wise and model-wise, verifying the proposed data efficiency hypothesis. Our experiments reveal smoother phase transitions occurring at the critical dataset size for language datasets. As the model size increases, this critical point also becomes larger, indicating that larger models require more data. Our results deepen the understanding of language model training, offering a novel perspective on the role of data in the learning mechanism of language models.  ( 2 min )

Neural ordinary differential equations (neural ODEs) have emerged as a natural tool for supervised learning from a control perspective, yet a complete understanding of their optimal architecture remains elusive. In this work, we examine the interplay between their width $p$ and number of layer transitions $L$ (effectively the depth $L+1$). Specifically, we assess the model expressivity in terms of its capacity to interpolate either a finite dataset $D$ comprising $N$ pairs of points or two probability measures in $\mathbb{R}^d$ within a Wasserstein error margin $\varepsilon>0$. Our findings reveal a balancing trade-off between $p$ and $L$, with $L$ scaling as $O(1+N/p)$ for dataset interpolation, and $L=O\left(1+(p\varepsilon^d)^{-1}\right)$ for measure interpolation. In the autonomous case, where $L=0$, a separate study is required, which we undertake focusing on dataset interpolation. We address the relaxed problem of $\varepsilon$-approximate controllability and establish an error decay of $\varepsilon\sim O(\log(p)p^{-1/d})$. This decay rate is a consequence of applying a universal approximation theorem to a custom-built Lipschitz vector field that interpolates $D$. In the high-dimensional setting, we further demonstrate that $p=O(N)$ neurons are likely sufficient to achieve exact control.  ( 2 min )

We introduce a new mean-field ODE and corresponding interacting particle systems (IPS) for sampling from an unnormalized target density. The IPS are gradient-free, available in closed form, and only require the ability to sample from a reference density and compute the (unnormalized) target-to-reference density ratio. The mean-field ODE is obtained by solving a Poisson equation for a velocity field that transports samples along the geometric mixture of the two densities, which is the path of a particular Fisher-Rao gradient flow. We employ a RKHS ansatz for the velocity field, which makes the Poisson equation tractable and enables discretization of the resulting mean-field ODE over finite samples. The mean-field ODE can be additionally be derived from a discrete-time perspective as the limit of successive linearizations of the Monge-Amp\`ere equations within a framework known as sample-driven optimal transport. We introduce a stochastic variant of our approach and demonstrate empirically that our IPS can produce high-quality samples from varied target distributions, outperforming comparable gradient-free particle systems and competitive with gradient-based alternatives.  ( 2 min )

Pandemics, notably the recent COVID-19 outbreak, have impacted both public health and the global economy. A profound understanding of disease progression and efficient response strategies is thus needed to prepare for potential future outbreaks. In this paper, we emphasize the potential of Agent-Based Models (ABM) in capturing complex infection dynamics and understanding the impact of interventions. We simulate realistic pharmaceutical, behavioral, and digital interventions that mirror challenges in real-world policy adoption and suggest a holistic combination of these interventions for pandemic response. Using these simulations, we study the trends of emergent behavior on a large-scale population based on real-world socio-demographic and geo-census data from Kings County in Washington. Our analysis reveals the pivotal role of the initial 100 days in dictating a pandemic's course, emphasizing the importance of quick decision-making and efficient policy development. Further, we highlight that investing in behavioral and digital interventions can reduce the burden on pharmaceutical interventions by reducing the total number of infections and hospitalizations, and by delaying the pandemic's peak. We also infer that allocating the same amount of dollars towards extensive testing with contact tracing and self-quarantine offers greater cost efficiency compared to spending the entire budget on vaccinations.  ( 3 min )

We introduce a new PAC-Bayes oracle bound for unbounded losses. This result can be understood as a PAC-Bayesian version of the Cram\'er-Chernoff bound. The proof technique relies on controlling the tails of certain random variables involving the Cram\'er transform of the loss. We highlight several applications of the main theorem. First, we show that our result naturally allows exact optimization of the free parameter on many PAC-Bayes bounds. Second, we recover and generalize previous results. Finally, we show that our approach allows working with richer assumptions that result in more informative and potentially tighter bounds. In this direction, we provide a general bound under a new ``model-dependent bounded CGF" assumption from which we obtain bounds based on parameter norms and log-Sobolev inequalities. All these bounds can be minimized to obtain novel posteriors.  ( 2 min )

Diffusion Models (DMs) have disrupted the image Super-Resolution (SR) field and further closed the gap between image quality and human perceptual preferences. They are easy to train and can produce very high-quality samples that exceed the realism of those produced by previous generative methods. Despite their promising results, they also come with new challenges that need further research: high computational demands, comparability, lack of explainability, color shifts, and more. Unfortunately, entry into this field is overwhelming because of the abundance of publications. To address this, we provide a unified recount of the theoretical foundations underlying DMs applied to image SR and offer a detailed analysis that underscores the unique characteristics and methodologies within this domain, distinct from broader existing reviews in the field. This survey articulates a cohesive understanding of DM principles and explores current research avenues, including alternative input domains, conditioning techniques, guidance mechanisms, corruption spaces, and zero-shot learning approaches. By offering a detailed examination of the evolution and current trends in image SR through the lens of DMs, this survey sheds light on the existing challenges and charts potential future directions, aiming to inspire further innovation in this rapidly advancing area.  ( 2 min )

Model extraction is a growing concern for the security of AI systems. For deep neural network models, the architecture is the most important information an adversary aims to recover. Being a sequence of repeated computation blocks, neural network models deployed on edge-devices will generate distinctive side-channel leakages. The latter can be exploited to extract critical information when targeted platforms are physically accessible. By combining theoretical knowledge about deep learning practices and analysis of a widespread implementation library (ARM CMSIS-NN), our purpose is to answer this critical question: how far can we extract architecture information by simply examining an EM side-channel trace? For the first time, we propose an extraction methodology for traditional MLP and CNN models running on a high-end 32-bit microcontroller (Cortex-M7) that relies only on simple pattern recognition analysis. Despite few challenging cases, we claim that, contrary to parameters extraction, the complexity of the attack is relatively low and we highlight the urgent need for practicable protections that could fit the strong memory and latency requirements of such platforms.  ( 2 min )

The challenge in biomarker discovery using machine learning from omics data lies in the abundance of molecular features but scarcity of samples. Most feature selection methods in machine learning require evaluating various sets of features (models) to determine the most effective combination. This process, typically conducted using a validation dataset, involves testing different feature sets to optimize the model's performance. Evaluations have performance estimation error and when the selection involves many models the best ones are almost certainly overestimated. Biomarker identification with feature selection methods can be addressed as a multi-objective problem with trade-offs between predictive ability and parsimony in the number of features. Genetic algorithms are a popular tool for multi-objective optimization but they evolve numerous solutions thus are prone to overestimation. Methods have been proposed to reduce the overestimation after a model has already been selected in single-objective problems, but no algorithm existed capable of reducing the overestimation during the optimization, improving model selection, or applied in the more general multi-objective domain. We propose DOSA-MO, a novel multi-objective optimization wrapper algorithm that learns how the original estimation, its variance, and the feature set size of the solutions predict the overestimation. DOSA-MO adjusts the expectation of the performance during the optimization, improving the composition of the solution set. We verify that DOSA-MO improves the performance of a state-of-the-art genetic algorithm on left-out or external sample sets, when predicting cancer subtypes and/or patient overall survival, using three transcriptomics datasets for kidney and breast cancer.  ( 3 min )

Objectives: Leveraging artificial intelligence (AI) in conjunction with electronic health records (EHRs) holds transformative potential to improve healthcare. Yet, addressing bias in AI, which risks worsening healthcare disparities, cannot be overlooked. This study reviews methods to detect and mitigate diverse forms of bias in AI models developed using EHR data. Methods: We conducted a systematic review following the Preferred Reporting Items for Systematic Reviews and Meta-analyses (PRISMA) guidelines, analyzing articles from PubMed, Web of Science, and IEEE published between January 1, 2010, and Dec 17, 2023. The review identified key biases, outlined strategies for detecting and mitigating bias throughout the AI model development process, and analyzed metrics for bias assessment. Results: Of the 450 articles retrieved, 20 met our criteria, revealing six major bias types: algorithmic, confounding, implicit, measurement, selection, and temporal. The AI models were primarily developed for predictive tasks in healthcare settings. Four studies concentrated on the detection of implicit and algorithmic biases employing fairness metrics like statistical parity, equal opportunity, and predictive equity. Sixty proposed various strategies for mitigating biases, especially targeting implicit and selection biases. These strategies, evaluated through both performance (e.g., accuracy, AUROC) and fairness metrics, predominantly involved data collection and preprocessing techniques like resampling, reweighting, and transformation. Discussion: This review highlights the varied and evolving nature of strategies to address bias in EHR-based AI models, emphasizing the urgent needs for the establishment of standardized, generalizable, and interpretable methodologies to foster the creation of ethical AI systems that promote fairness and equity in healthcare.  ( 3 min )

Large language models (LLMs) are trained on vast amounts of text from the internet, which contains both factual and misleading information about the world. While unintuitive from a classic view of LMs, recent work has shown that the truth value of a statement can be elicited from the model's representations. This paper presents an explanation for why LMs appear to know the truth despite not being trained with truth labels. We hypothesize that the pretraining data is generated by groups of (un)truthful agents whose outputs share common features, and they form a (un)truthful persona. By training on this data, LMs can infer and represent the persona in its activation space. This allows the model to separate truth from falsehoods and controls the truthfulness of its generation. We show evidence for the persona hypothesis via two observations: (1) we can probe whether a model's answer will be truthful before it is generated; (2) finetuning a model on a set of facts improves its truthfulness on unseen topics. Next, using arithmetics as a synthetic environment, we show that structures of the pretraining data are crucial for the model to infer the truthful persona. Overall, our findings suggest that models can exploit hierarchical structures in the data to learn abstract concepts like truthfulness.  ( 3 min )

In this study, we delve into the problem of self-supervised learning (SSL) utilizing the 1-Wasserstein distance on a tree structure (a.k.a., Tree-Wasserstein distance (TWD)), where TWD is defined as the L1 distance between two tree-embedded vectors. In SSL methods, the cosine similarity is often utilized as an objective function; however, it has not been well studied when utilizing the Wasserstein distance. Training the Wasserstein distance is numerically challenging. Thus, this study empirically investigates a strategy for optimizing the SSL with the Wasserstein distance and finds a stable training procedure. More specifically, we evaluate the combination of two types of TWD (total variation and ClusterTree) and several probability models, including the softmax function, the ArcFace probability model, and simplicial embedding. We propose a simple yet effective Jeffrey divergence-based regularization method to stabilize optimization. Through empirical experiments on STL10, CIFAR10, CIFAR100, and SVHN, we find that a simple combination of the softmax function and TWD can obtain significantly lower results than the standard SimCLR. Moreover, a simple combination of TWD and SimSiam fails to train the model. We find that the model performance depends on the combination of TWD and probability model, and that the Jeffrey divergence regularization helps in model training. Finally, we show that the appropriate combination of the TWD and probability model outperforms cosine similarity-based representation learning.  ( 3 min )

Data-parallel SGD is the de facto algorithm for distributed optimization, especially for large scale machine learning. Despite its merits, communication bottleneck is one of its persistent issues. Most compression schemes to alleviate this either assume noiseless communication links, or fail to achieve good performance on practical tasks. In this paper, we close this gap and introduce LASER: LineAr CompreSsion in WirEless DistRibuted Optimization. LASER capitalizes on the inherent low-rank structure of gradients and transmits them efficiently over the noisy channels. Whilst enjoying theoretical guarantees similar to those of the classical SGD, LASER shows consistent gains over baselines on a variety of practical benchmarks. In particular, it outperforms the state-of-the-art compression schemes on challenging computer vision and GPT language modeling tasks. On the latter, we obtain $50$-$64 \%$ improvement in perplexity over our baselines for noisy channels.  ( 2 min )

We consider the problem of model selection in a high-dimensional sparse linear regression model under privacy constraints. We propose a differentially private best subset selection method with strong utility properties by adopting the well-known exponential mechanism for selecting the best model. We propose an efficient Metropolis-Hastings algorithm and establish that it enjoys polynomial mixing time to its stationary distribution. Furthermore, we also establish approximate differential privacy for the final estimates of the Metropolis-Hastings random walk using its mixing property. Finally, we perform some illustrative experiments that show the strong utility of our algorithm.  ( 2 min )

Ocean science, which delves into the oceans that are reservoirs of life and biodiversity, is of great significance given that oceans cover over 70% of our planet's surface. Recently, advances in Large Language Models (LLMs) have transformed the paradigm in science. Despite the success in other domains, current LLMs often fall short in catering to the needs of domain experts like oceanographers, and the potential of LLMs for ocean science is under-explored. The intrinsic reason may be the immense and intricate nature of ocean data as well as the necessity for higher granularity and richness in knowledge. To alleviate these issues, we introduce OceanGPT, the first-ever LLM in the ocean domain, which is expert in various ocean science tasks. We propose DoInstruct, a novel framework to automatically obtain a large volume of ocean domain instruction data, which generates instructions based on multi-agent collaboration. Additionally, we construct the first oceanography benchmark, OceanBench, to evaluate the capabilities of LLMs in the ocean domain. Though comprehensive experiments, OceanGPT not only shows a higher level of knowledge expertise for oceans science tasks but also gains preliminary embodied intelligence capabilities in ocean technology. Codes, data and checkpoints will soon be available at https://github.com/zjunlp/KnowLM.  ( 3 min )

As Multimodal Large Language Models (MLLMs) grow in size, adapting them to specialized tasks becomes increasingly challenging due to high computational and memory demands. Indeed, traditional fine-tuning methods are costly, due to the need for extensive, task-specific training. While efficient adaptation methods exist that aim to reduce these costs, in practice they suffer from shallow inter-modal alignment, which severely hurts model effectiveness. To tackle these computational challenges and improve inter-modal alignment, we introduce the MultiWay-Adapter (MWA), a novel framework featuring an 'Alignment Enhancer'. This enhancer deepens inter-modal alignment, enabling high transferability with minimal tuning effort. Our experiments show that unlike prior efficient tuning approaches, MWA maintains model effectiveness, while reducing training time by up-to 57%. MWA is also lightweight, increasing model size by only 2-3% (in terms of parameters) for state-of-the-art foundation models like BEiT-3 Large. These results demonstrate that MWA provides an efficient and effective adaptation method for MLLMs, significantly broadening their applicability.  ( 2 min )

Corner case scenarios are an essential tool for testing and validating the safety of autonomous vehicles (AVs). As these scenarios are often insufficiently present in naturalistic driving datasets, augmenting the data with synthetic corner cases greatly enhances the safe operation of AVs in unique situations. However, the generation of synthetic, yet realistic, corner cases poses a significant challenge. In this work, we introduce a novel approach based on Heterogeneous Graph Neural Networks (HGNNs) to transform regular driving scenarios into corner cases. To achieve this, we first generate concise representations of regular driving scenes as scene graphs, minimally manipulating their structure and properties. Our model then learns to perturb those graphs to generate corner cases using attention and triple embeddings. The input and perturbed graphs are then imported back into the simulation to generate corner case scenarios. Our model successfully learned to produce corner cases from input scene graphs, achieving 89.9% prediction accuracy on our testing dataset. We further validate the generated scenarios on baseline autonomous driving methods, demonstrating our model's ability to effectively create critical situations for the baselines.  ( 2 min )

Over the eight months since its release, ChatGPT and its underlying model, GPT3.5, have garnered massive attention, due to their potent mix of capability and accessibility. While a niche-industry of papers have emerged examining the scope of capabilities these models possess, the information fed to and extracted from these networks has been either natural language text or stylized, code-like language. Drawing inspiration from the prowess we expect a truly human-level intelligent agent to have across multiple signal modalities, in this work we examine GPT3.5's aptitude for visual tasks, where the inputs feature content provided as ASCII-art without overt distillation into a lingual summary. We conduct experiments analyzing the model's performance on image recognition tasks after various transforms typical in visual settings, trials investigating knowledge of image parts, and tasks covering image generation.  ( 3 min )

We introduce Graph of Thoughts (GoT): a framework that advances prompting capabilities in large language models (LLMs) beyond those offered by paradigms such as Chain-of-Thought or Tree of Thoughts (ToT). The key idea and primary advantage of GoT is the ability to model the information generated by an LLM as an arbitrary graph, where units of information ("LLM thoughts") are vertices, and edges correspond to dependencies between these vertices. This approach enables combining arbitrary LLM thoughts into synergistic outcomes, distilling the essence of whole networks of thoughts, or enhancing thoughts using feedback loops. We illustrate that GoT offers advantages over state of the art on different tasks, for example increasing the quality of sorting by 62% over ToT, while simultaneously reducing costs by >31%. We ensure that GoT is extensible with new thought transformations and thus can be used to spearhead new prompting schemes. This work brings the LLM reasoning closer to human thinking or brain mechanisms such as recurrence, both of which form complex networks.  ( 2 min )

As the scale of machine learning models increases, trends such as scaling laws anticipate consistent downstream improvements in predictive accuracy. However, these trends take the perspective of a single model-provider in isolation, while in reality providers often compete with each other for users. In this work, we demonstrate that competition can fundamentally alter the behavior of these scaling trends, even causing overall predictive accuracy across users to be non-monotonic or decreasing with scale. We define a model of competition for classification tasks, and use data representations as a lens for studying the impact of increases in scale. We find many settings where improving data representation quality (as measured by Bayes risk) decreases the overall predictive accuracy across users (i.e., social welfare) for a marketplace of competing model-providers. Our examples range from closed-form formulas in simple settings to simulations with pretrained representations on CIFAR-10. At a conceptual level, our work suggests that favorable scaling trends for individual model-providers need not translate to downstream improvements in social welfare in marketplaces with multiple model providers.  ( 2 min )

Training machine learning models can be very expensive or even unaffordable. This may be, for example, due to data limitations (unavailability or being too large), or computational power limitations. Therefore, it is a common practice to rely on open-source pre-trained models whenever possible. However, this practice is alarming from a security perspective. Pre-trained models can be infected with Trojan attacks, in which the attacker embeds a trigger in the model such that the model's behavior can be controlled by the attacker when the trigger is present in the input. In this paper, we present a novel method for detecting Trojan models. Our method creates a signature for a model based on activation optimization. A classifier is then trained to detect a Trojan model given its signature. We call our method TRIGS for TRojan Identification from Gradient-based Signatures. TRIGS achieves state-of-the-art performance on two public datasets of convolutional models. Additionally, we introduce a new challenging dataset of ImageNet models based on the vision transformer architecture. TRIGS delivers the best performance on the new dataset, surpassing the baseline methods by a large margin. Our experiments also show that TRIGS requires only a small amount of clean samples to achieve good performance, and works reasonably well even if the defender does not have prior knowledge about the attacker's model architecture. Our dataset will be released soon.  ( 3 min )

Methods for anomaly detection of new physics processes are often limited to low-dimensional spaces due to the difficulty of learning high-dimensional probability densities. Particularly at the constituent level, incorporating desirable properties such as permutation invariance and variable-length inputs becomes difficult within popular density estimation methods. In this work, we introduce a permutation-invariant density estimator for particle physics data based on diffusion models, specifically designed to handle variable-length inputs. We demonstrate the efficacy of our methodology by utilizing the learned density as a permutation-invariant anomaly detection score, effectively identifying jets with low likelihood under the background-only hypothesis. To validate our density estimation method, we investigate the ratio of learned densities and compare to those obtained by a supervised classification algorithm.  ( 2 min )

Point clouds are versatile representations of 3D objects and have found widespread application in science and engineering. Many successful deep-learning models have been proposed that use them as input. The domain of chemical and materials modeling is especially challenging because exact compliance with physical constraints is highly desirable for a model to be usable in practice. These constraints include smoothness and invariance with respect to translations, rotations, and permutations of identical atoms. If these requirements are not rigorously fulfilled, atomistic simulations might lead to absurd outcomes even if the model has excellent accuracy. Consequently, dedicated architectures, which achieve invariance by restricting their design space, have been developed. General-purpose point-cloud models are more varied but often disregard rotational symmetry. We propose a general symmetrization method that adds rotational equivariance to any given model while preserving all the other requirements. Our approach simplifies the development of better atomic-scale machine-learning schemes by relaxing the constraints on the design space and making it possible to incorporate ideas that proved effective in other domains. We demonstrate this idea by introducing the Point Edge Transformer (PET) architecture, which is not intrinsically equivariant but achieves state-of-the-art performance on several benchmark datasets of molecules and solids. A-posteriori application of our general protocol makes PET exactly equivariant, with minimal changes to its accuracy.  ( 3 min )

Recently, reference-free metrics such as CLIPScore (Hessel et al., 2021), UMIC (Lee et al., 2021), and PAC-S (Sarto et al., 2023) have been proposed for automatic reference-free evaluation of image captions. Our focus lies in evaluating the robustness of these metrics in scenarios that require distinguishing between two captions with high lexical overlap but very different meanings. Our findings reveal that despite their high correlation with human judgments, CLIPScore, UMIC, and PAC-S struggle to identify fine-grained errors. While all metrics exhibit strong sensitivity to visual grounding errors, their sensitivity to caption implausibility errors is limited. Furthermore, we found that all metrics are sensitive to variations in the size of image-relevant objects mentioned in the caption, while CLIPScore and PAC-S are also sensitive to the number of mentions of image-relevant objects in the caption. Regarding linguistic aspects of a caption, all metrics show weak comprehension of negation, and CLIPScore and PAC-S are insensitive to the structure of the caption to a great extent. We hope our findings will guide further improvements in reference-free evaluation of image captioning.  ( 2 min )

The Koopman operator provides a linear perspective on non-linear dynamics by focusing on the evolution of observables in an invariant subspace. Observables of interest are typically linearly reconstructed from the Koopman eigenfunctions. Despite the broad use of Koopman operators over the past few years, there exist some misconceptions about the applicability of Koopman operators to dynamical systems with more than one disjoint invariant sets (e.g., basins of attractions from isolated fixed points). In this work, we first provide a simple explanation for the mechanism of linear reconstruction-based Koopman operators of nonlinear systems with multiple disjoint invariant sets. Next, we discuss the use of discrete symmetry among such invariant sets to construct Koopman eigenfunctions in a data efficient manner. Finally, several numerical examples are provided to illustrate the benefits of exploiting symmetry for learning the Koopman operator.  ( 2 min )

Optimal Transport (OT) problem investigates a transport map that bridges two distributions while minimizing a given cost function. In this regard, OT between tractable prior distribution and data has been utilized for generative modeling tasks. However, OT-based methods are susceptible to outliers and face optimization challenges during training. In this paper, we propose a novel generative model based on the semi-dual formulation of Unbalanced Optimal Transport (UOT). Unlike OT, UOT relaxes the hard constraint on distribution matching. This approach provides better robustness against outliers, stability during training, and faster convergence. We validate these properties empirically through experiments. Moreover, we study the theoretical upper-bound of divergence between distributions in UOT. Our model outperforms existing OT-based generative models, achieving FID scores of 2.97 on CIFAR-10 and 6.36 on CelebA-HQ-256. The code is available at \url{https://github.com/Jae-Moo/UOTM}.  ( 2 min )

A major limitation for the broader scope of problems solvable by transformers is the quadratic scaling of computational complexity with input size. In this study, we investigate the recurrent memory augmentation of pre-trained transformer models to extend input context length while linearly scaling compute. Our approach demonstrates the capability to store information in memory for sequences of up to an unprecedented two million tokens while maintaining high retrieval accuracy. Experiments with language modeling tasks show perplexity improvement as the number of processed input segments increases. These results underscore the effectiveness of our method, which has significant potential to enhance long-term dependency handling in natural language understanding and generation tasks, as well as enable large-scale context processing for memory-intensive applications.  ( 2 min )

This paper proposes a methodology for discovering meaningful properties in data by exploring the latent space of unsupervised deep generative models. We combine manipulation of individual latent variables to extreme values with methods inspired by causal inference into an approach we call causal disentanglement with extreme values (CDEV) and show that this method yields insights for model interpretability. With this, we can test for what properties of unknown data the model encodes as meaningful, using it to glean insight into the communication system of sperm whales (Physeter macrocephalus), one of the most intriguing and understudied animal communication systems. The network architecture used has been shown to learn meaningful representations of speech; here, it is used as a learning mechanism to decipher the properties of another vocal communication system in which case we have no ground truth. The proposed methodology suggests that sperm whales encode information using the number of clicks in a sequence, the regularity of their timing, and audio properties such as the spectral mean and the acoustic regularity of the sequences. Some of these findings are consistent with existing hypotheses, while others are proposed for the first time. We also argue that our models uncover rules that govern the structure of units in the communication system and apply them while generating innovative data not shown during training. This paper suggests that an interpretation of the outputs of deep neural networks with causal inference methodology can be a viable strategy for approaching data about which little is known and presents another case of how deep learning can limit the hypothesis space. Finally, the proposed approach can be extended to other architectures and datasets.  ( 3 min )

Variational quantum algorithms such as the Quantum Approximation Optimization Algorithm (QAOA) in recent years have gained popularity as they provide the hope of using NISQ devices to tackle hard combinatorial optimization problems. It is, however, known that at low depth, certain locality constraints of QAOA limit its performance. To go beyond these limitations, a non-local variant of QAOA, namely recursive QAOA (RQAOA), was proposed to improve the quality of approximate solutions. The RQAOA has been studied comparatively less than QAOA, and it is less understood, for instance, for what family of instances it may fail to provide high quality solutions. However, as we are tackling $\mathsf{NP}$-hard problems (specifically, the Ising spin model), it is expected that RQAOA does fail, raising the question of designing even better quantum algorithms for combinatorial optimization. In this spirit, we identify and analyze cases where RQAOA fails and, based on this, propose a reinforcement learning enhanced RQAOA variant (RL-RQAOA) that improves upon RQAOA. We show that the performance of RL-RQAOA improves over RQAOA: RL-RQAOA is strictly better on these identified instances where RQAOA underperforms, and is similarly performing on instances where RQAOA is near-optimal. Our work exemplifies the potentially beneficial synergy between reinforcement learning and quantum (inspired) optimization in the design of new, even better heuristics for hard problems.  ( 3 min )

In autonomous driving, LiDAR and radar are crucial for environmental perception. LiDAR offers precise 3D spatial sensing information but struggles in adverse weather like fog. Conversely, radar signals can penetrate rain or mist due to their specific wavelength but are prone to noise disturbances. Recent state-of-the-art works reveal that the fusion of radar and LiDAR can lead to robust detection in adverse weather. The existing works adopt convolutional neural network architecture to extract features from each sensor data, then align and aggregate the two branch features to predict object detection results. However, these methods have low accuracy of predicted bounding boxes due to a simple design of label assignment and fusion strategies. In this paper, we propose a bird's-eye view fusion learning-based anchor box-free object detection system, which fuses the feature derived from the radar range-azimuth heatmap and the LiDAR point cloud to estimate possible objects. Different label assignment strategies have been designed to facilitate the consistency between the classification of foreground or background anchor points and the corresponding bounding box regressions. Furthermore, the performance of the proposed object detector is further enhanced by employing a novel interactive transformer module. The superior performance of the methods proposed in this paper has been demonstrated using the recently published Oxford Radar RobotCar dataset. Our system's average precision significantly outperforms the state-of-the-art method by 13.1% and 19.0% at Intersection of Union (IoU) of 0.8 under 'Clear+Foggy' training conditions for 'Clear' and 'Foggy' testing, respectively.  ( 3 min )

Machine learning algorithms are becoming integrated into more and more high-stakes decision-making processes, such as in social welfare issues. Due to the need of mitigating the potentially disparate impacts from algorithmic predictions, many approaches have been proposed in the emerging area of fair machine learning. However, the fundamental problem of characterizing Bayes-optimal classifiers under various group fairness constraints has only been investigated in some special cases. Based on the classical Neyman-Pearson argument (Neyman and Pearson, 1933; Shao, 2003) for optimal hypothesis testing, this paper provides a unified framework for deriving Bayes-optimal classifiers under group fairness. This enables us to propose a group-based thresholding method we call FairBayes, that can directly control disparity, and achieve an essentially optimal fairness-accuracy tradeoff. These advantages are supported by thorough experiments.  ( 2 min )

Gaussian mixture distributions are commonly employed to represent general probability distributions. Despite the importance of using Gaussian mixtures for uncertainty estimation, the entropy of a Gaussian mixture cannot be analytically calculated. Notably, Gal and Ghahramani [2016] proposed the approximate entropy that is the sum of the entropies of unimodal Gaussian distributions. This approximation is easy to analytically calculate regardless of dimension, but there lack theoretical guarantees. In this paper, we theoretically analyze the approximation error between the true entropy and the approximate one to reveal when this approximation works effectively. This error is controlled by how far apart each Gaussian component of the Gaussian mixture. To measure such separation, we introduce the ratios of the distances between the means to the sum of the variances of each Gaussian component of the Gaussian mixture, and we reveal that the error converges to zero as the ratios tend to infinity. This convergence situation is more likely to occur in higher dimensional spaces. Therefore, our results provide a guarantee that this approximation works well in higher dimension problems, particularly in scenarios such as neural networks that involve a large number of weights.  ( 2 min )

Since the structure of complex networks is often unknown, we may identify the most influential seed nodes by exploring only a part of the underlying network, given a small budget for node queries. We propose IM-META, a solution to influence maximization (IM) in networks with unknown topology by retrieving information from queries and node metadata. Since using such metadata is not without risk due to the noisy nature of metadata and uncertainties in connectivity inference, we formulate a new IM problem that aims to find both seed nodes and queried nodes. In IM-META, we develop an effective method that iteratively performs three steps: 1) we learn the relationship between collected metadata and edges via a Siamese neural network, 2) we select a number of inferred confident edges to construct a reinforced graph, and 3) we identify the next node to query by maximizing the inferred influence spread using our topology-aware ranking strategy. Through experimental evaluation of IM-META on four real-world datasets, we demonstrate a) the speed of network exploration via node queries, b) the effectiveness of each module, c) the superiority over benchmark methods, d) the robustness to more difficult settings, e) the hyperparameter sensitivity, and f) the scalability.  ( 3 min )

This paper introduces and investigates the utilization of maximum and average distance correlations for multivariate independence testing. We characterize their consistency properties in high-dimensional settings with respect to the number of marginally dependent dimensions, assess the advantages of each test statistic, examine their respective null distributions, and present a fast chi-square-based testing procedure. The resulting tests are non-parametric and applicable to both Euclidean distance and the Gaussian kernel as the underlying metric. To better understand the practical use cases of the proposed tests, we evaluate the empirical performance of the maximum distance correlation, average distance correlation, and the original distance correlation across various multivariate dependence scenarios, as well as conduct a real data experiment to test the presence of various cancer types and peptide levels in human plasma.  ( 2 min )

Temporal data are increasingly prevalent in modern data science. A fundamental question is whether two time-series are related or not. Existing approaches often have limitations, such as relying on parametric assumptions, detecting only linear associations, and requiring multiple tests and corrections. While many non-parametric and universally consistent dependence measures have recently been proposed, directly applying them to temporal data can inflate the p-value and result in invalid test. To address these challenges, this paper introduces the temporal dependence statistic with block permutation to test independence between temporal data. Under proper assumptions, the proposed procedure is asymptotically valid and universally consistent for testing independence between stationary time-series, and capable of estimating the optimal dependence lag that maximizes the dependence. Notably, it is compatible with a rich family of distance and kernel based dependence measures, eliminates the need for multiple testing, and demonstrates superior power in multivariate, low sample size, and nonlinear settings. An analysis of neural connectivity with fMRI data reveals various temporal dependence among signals within the visual network and default mode network.  ( 2 min )

We introduce SymbolicAI, a versatile and modular framework employing a logic-based approach to concept learning and flow management in generative processes. SymbolicAI enables the seamless integration of generative models with a diverse range of solvers by treating large language models (LLMs) as semantic parsers that execute tasks based on both natural and formal language instructions, thus bridging the gap between symbolic reasoning and generative AI. We leverage probabilistic programming principles to tackle complex tasks, and utilize differentiable and classical programming paradigms with their respective strengths. The framework introduces a set of polymorphic, compositional, and self-referential operations for data stream manipulation, aligning LLM outputs with user objectives. As a result, we can transition between the capabilities of various foundation models endowed with zero- and few-shot learning capabilities and specialized, fine-tuned models or solvers proficient in addressing specific problems. In turn, the framework facilitates the creation and evaluation of explainable computational graphs. We conclude by introducing a quality measure and its empirical score for evaluating these computational graphs, and propose a benchmark that compares various state-of-the-art LLMs across a set of complex workflows. We refer to the empirical score as the "Vector Embedding for Relational Trajectory Evaluation through Cross-similarity", or VERTEX score for short. The framework codebase and benchmark are linked below.  ( 3 min )

In the current landscape of deep learning research, there is a predominant emphasis on achieving high predictive accuracy in supervised tasks involving large image and language datasets. However, a broader perspective reveals a multitude of overlooked metrics, tasks, and data types, such as uncertainty, active and continual learning, and scientific data, that demand attention. Bayesian deep learning (BDL) constitutes a promising avenue, offering advantages across these diverse settings. This paper posits that BDL can elevate the capabilities of deep learning. It revisits the strengths of BDL, acknowledges existing challenges, and highlights some exciting research avenues aimed at addressing these obstacles. Looking ahead, the discussion focuses on possible ways to combine large-scale foundation models with BDL to unlock their full potential.  ( 2 min )

We conduct a systematic study of the approximation properties of Transformer for sequence modeling with long, sparse and complicated memory. We investigate the mechanisms through which different components of Transformer, such as the dot-product self-attention, positional encoding and feed-forward layer, affect its expressive power, and we study their combined effects through establishing explicit approximation rates. Our study reveals the roles of critical parameters in the Transformer, such as the number of layers and the number of attention heads, and these insights also provide natural suggestions for alternative architectures.  ( 2 min )

Fairness-awareness has emerged as an essential building block for the responsible use of artificial intelligence in real applications. In many cases, inequity in performance is due to the change in distribution over different regions. While techniques have been developed to improve the transferability of fairness, a solution to the problem is not always feasible with no samples from the new regions, which is a bottleneck for pure data-driven attempts. Fortunately, physics-based mechanistic models have been studied for many problems with major social impacts. We propose SimFair, a physics-guided fairness-aware learning framework, which bridges the data limitation by integrating physical-rule-based simulation and inverse modeling into the training design. Using temperature prediction as an example, we demonstrate the effectiveness of the proposed SimFair in fairness preservation.  ( 2 min )

While physics-informed neural networks (PINNs) have become a popular deep learning framework for tackling forward and inverse problems governed by partial differential equations (PDEs), their performance is known to degrade when larger and deeper neural network architectures are employed. Our study identifies that the root of this counter-intuitive behavior lies in the use of multi-layer perceptron (MLP) architectures with non-suitable initialization schemes, which result in poor trainablity for the network derivatives, and ultimately lead to an unstable minimization of the PDE residual loss. To address this, we introduce Physics-informed Residual Adaptive Networks (PirateNets), a novel architecture that is designed to facilitate stable and efficient training of deep PINN models. PirateNets leverage a novel adaptive residual connection, which allows the networks to be initialized as shallow networks that progressively deepen during training. We also show that the proposed initialization scheme allows us to encode appropriate inductive biases corresponding to a given PDE system into the network architecture. We provide comprehensive empirical evidence showing that PirateNets are easier to optimize and can gain accuracy from considerably increased depth, ultimately achieving state-of-the-art results across various benchmarks. All code and data accompanying this manuscript will be made publicly available at \url{https://github.com/PredictiveIntelligenceLab/jaxpi}.  ( 2 min )

The prediction of solar power generation is a challenging task due to its dependence on climatic characteristics that exhibit spatial and temporal variability. The performance of a prediction model may vary across different places due to changes in data distribution, resulting in a model that works well in one region but not in others. Furthermore, as a consequence of global warming, there is a notable acceleration in the alteration of weather patterns on an annual basis. This phenomenon introduces the potential for diminished efficacy of existing models, even within the same geographical region, as time progresses. In this paper, a domain adaptive deep learning-based framework is proposed to estimate solar power generation using weather features that can solve the aforementioned challenges. A feed-forward deep convolutional network model is trained for a known location dataset in a supervised manner and utilized to predict the solar power of an unknown location later. This adaptive data-driven approach exhibits notable advantages in terms of computing speed, storage efficiency, and its ability to improve outcomes in scenarios where state-of-the-art non-adaptive methods fail. Our method has shown an improvement of $10.47 \%$, $7.44 \%$, $5.11\%$ in solar power prediction accuracy compared to best performing non-adaptive method for California (CA), Florida (FL) and New York (NY), respectively.  ( 3 min )

In this study, we explore the synergy of deep learning and financial market applications, focusing on pair trading. This market-neutral strategy is integral to quantitative finance and is apt for advanced deep-learning techniques. A pivotal challenge in pair trading is discerning temporal correlations among entities, necessitating the integration of diverse data modalities. Addressing this, we introduce a novel framework, Multi-modal Temporal Relation Graph Learning (MTRGL). MTRGL combines time series data and discrete features into a temporal graph and employs a memory-based temporal graph neural network. This approach reframes temporal correlation identification as a temporal graph link prediction task, which has shown empirical success. Our experiments on real-world datasets confirm the superior performance of MTRGL, emphasizing its promise in refining automated pair trading strategies.  ( 2 min )

Stochastic approximation is a class of algorithms that update a vector iteratively, incrementally, and stochastically, including, e.g., stochastic gradient descent and temporal difference learning. One fundamental challenge in analyzing a stochastic approximation algorithm is to establish its stability, i.e., to show that the stochastic vector iterates are bounded almost surely. In this paper, we extend the celebrated Borkar-Meyn theorem for stability from the Martingale difference noise setting to the Markovian noise setting, which greatly improves its applicability in reinforcement learning, especially in those off-policy reinforcement learning algorithms with linear function approximation and eligibility traces. Central to our analysis is the diminishing asymptotic rate of change of a few functions, which is implied by both a form of strong law of large numbers and a commonly used V4 Lyapunov drift condition and trivially holds if the Markov chain is finite and irreducible.  ( 2 min )

Graph learning architectures based on the k-dimensional Weisfeiler-Leman (k-WL) hierarchy offer a theoretically well-understood expressive power. However, such architectures often fail to deliver solid predictive performance on real-world tasks, limiting their practical impact. In contrast, global attention-based models such as graph transformers demonstrate strong performance in practice, but comparing their expressive power with the k-WL hierarchy remains challenging, particularly since these architectures rely on positional or structural encodings for their expressivity and predictive performance. To address this, we show that the recently proposed Edge Transformer, a global attention model operating on node pairs instead of nodes, has at least 3-WL expressive power. Empirically, we demonstrate that the Edge Transformer surpasses other theoretically aligned architectures regarding predictive performance while not relying on positional or structural encodings.  ( 2 min )

The emergence of accurate open large language models (LLMs) has led to a race towards quantization techniques for such models enabling execution on end-user devices. In this paper, we revisit the problem of "extreme" LLM compression--defined as targeting extremely low bit counts, such as 2 to 3 bits per parameter, from the point of view of classic methods in Multi-Codebook Quantization (MCQ). Our work builds on top of Additive Quantization, a classic algorithm from the MCQ family, and adapts it to the quantization of language models. The resulting algorithm advances the state-of-the-art in LLM compression, outperforming all recently-proposed techniques in terms of accuracy at a given compression budget. For instance, when compressing Llama 2 models to 2 bits per parameter, our algorithm quantizes the 7B model to 6.93 perplexity (a 1.29 improvement relative to the best prior work, and 1.81 points from FP16), the 13B model to 5.70 perplexity (a .36 improvement) and the 70B model to 3.94 perplexity (a .22 improvement) on WikiText2. We release our implementation of Additive Quantization for Language Models AQLM as a baseline to facilitate future research in LLM quantization.  ( 2 min )

We seek to understand what facilitates sample-efficient learning from historical datasets for sequential decision-making, a problem that is popularly known as offline reinforcement learning (RL). Further, we are interested in algorithms that enjoy sample efficiency while leveraging (value) function approximation. In this paper, we address these fundamental questions by (i) proposing a notion of data diversity that subsumes the previous notions of coverage measures in offline RL and (ii) using this notion to {unify} three distinct classes of offline RL algorithms based on version spaces (VS), regularized optimization (RO), and posterior sampling (PS). We establish that VS-based, RO-based, and PS-based algorithms, under standard assumptions, achieve \emph{comparable} sample efficiency, which recovers the state-of-the-art sub-optimality bounds for finite and linear model classes with the standard assumptions. This result is surprising, given that the prior work suggested an unfavorable sample complexity of the RO-based algorithm compared to the VS-based algorithm, whereas posterior sampling is rarely considered in offline RL due to its explorative nature. Notably, our proposed model-free PS-based algorithm for offline RL is {novel}, with sub-optimality bounds that are {frequentist} (i.e., worst-case) in nature.  ( 2 min )

Reinforcement learning has been demonstrated to outperform even the best humans in complex domains like video games. However, running reinforcement learning experiments on the required scale for autonomous driving is extremely difficult. Building a large scale reinforcement learning system and distributing it across many GPUs is challenging. Gathering experience during training on real world vehicles is prohibitive from a safety and scalability perspective. Therefore, an efficient and realistic driving simulator is required that uses a large amount of data from real-world driving. We bring these capabilities together and conduct large-scale reinforcement learning experiments for autonomous driving. We demonstrate that our policy performance improves with increasing scale. Our best performing policy reduces the failure rate by 64% while improving the rate of driving progress by 25% compared to the policies produced by state-of-the-art machine learning for autonomous driving.  ( 2 min )

Mastering deep reinforcement learning (DRL) proves challenging in tasks featuring scant rewards. These limited rewards merely signify whether the task is partially or entirely accomplished, necessitating various exploration actions before the agent garners meaningful feedback. Consequently, the majority of existing DRL exploration algorithms struggle to acquire practical policies within a reasonable timeframe. To address this challenge, we introduce an approach leveraging offline demonstration trajectories for swifter and more efficient online RL in environments with sparse rewards. Our pivotal insight involves treating offline demonstration trajectories as guidance, rather than mere imitation, allowing our method to learn a policy whose distribution of state-action visitation marginally matches that of offline demonstrations. We specifically introduce a novel trajectory distance relying on maximum mean discrepancy (MMD) and cast policy optimization as a distance-constrained optimization problem. We then illustrate that this optimization problem can be streamlined into a policy-gradient algorithm, integrating rewards shaped by insights from offline demonstrations. The proposed algorithm undergoes evaluation across extensive discrete and continuous control tasks with sparse and misleading rewards. The experimental findings demonstrate the significant superiority of our proposed algorithm over baseline methods concerning diverse exploration and the acquisition of an optimal policy.  ( 2 min )

Inspired by the diversity and depth of XLand and the simplicity and minimalism of MiniGrid, we present XLand-MiniGrid, a suite of tools and grid-world environments for meta-reinforcement learning research. Written in JAX, XLand-MiniGrid is designed to be highly scalable and can potentially run on GPU or TPU accelerators, democratizing large-scale experimentation with limited resources. Along with the environments, XLand-MiniGrid provides pre-sampled benchmarks with millions of unique tasks of varying difficulty and easy-to-use baselines that allow users to quickly start training adaptive agents. In addition, we have conducted a preliminary analysis of scaling and generalization, showing that our baselines are capable of reaching millions of steps per second during training and validating that the proposed benchmarks are challenging.  ( 2 min )

Transformers play a central role in the inner workings of large language models. We develop a mathematical framework for analyzing Transformers based on their interpretation as interacting particle systems, which reveals that clusters emerge in long time. Our study explores the underlying theory and offers new perspectives for mathematicians as well as computer scientists.  ( 2 min )

Maximum likelihood estimation (MLE) of latent variable models is often recast as an optimization problem over the extended space of parameters and probability distributions. For example, the Expectation Maximization (EM) algorithm can be interpreted as coordinate descent applied to a suitable free energy functional over this space. Recently, this perspective has been combined with insights from optimal transport and Wasserstein gradient flows to develop particle-based algorithms applicable to wider classes of models than standard EM. Drawing inspiration from prior works which interpret `momentum-enriched' optimisation algorithms as discretizations of ordinary differential equations, we propose an analogous dynamical systems-inspired approach to minimizing the free energy functional over the extended space of parameters and probability distributions. The result is a dynamic system that blends elements of Nesterov's Accelerated Gradient method, the underdamped Langevin diffusion, and particle methods. Under suitable assumptions, we establish quantitative convergence of the proposed system to the unique minimiser of the functional in continuous time. We then propose a numerical discretization of this system which enables its application to parameter estimation in latent variable models. Through numerical experiments, we demonstrate that the resulting algorithm converges faster than existing methods and compares favourably with other (approximate) MLE algorithms.  ( 2 min )

Self-supervised Multi-modal Contrastive Learning (SMCL) remarkably advances modern Vision-Language Pre-training (VLP) models by aligning visual and linguistic modalities. Due to noises in web-harvested text-image pairs, however, scaling up training data volume in SMCL presents considerable obstacles in terms of computational cost and data inefficiency. To improve data efficiency in VLP, we propose Text-aware Image Mixing (TiMix), which integrates mix-based data augmentation techniques into SMCL, yielding significant performance improvements without significantly increasing computational overhead. We provide a theoretical analysis of TiMixfrom a mutual information (MI) perspective, showing that mixed data samples for cross-modal contrastive learning implicitly serve as a regularizer for the contrastive loss. The experimental results demonstrate that TiMix exhibits a comparable performance on downstream tasks, even with a reduced amount of training data and shorter training time, when benchmarked against existing methods. This work empirically and theoretically demonstrates the potential of data mixing for data-efficient and computationally viable VLP, benefiting broader VLP model adoption in practical scenarios.  ( 2 min )

This paper presents a context key/value compression method for Transformer language models in online scenarios, where the context continually expands. As the context lengthens, the attention process demands increasing memory and computations, which in turn reduces the throughput of the language model. To address this challenge, we propose a compressed context memory system that continually compresses the accumulating attention key/value pairs into a compact memory space, facilitating language model inference in a limited memory space of computing environments. Our compression process involves integrating a lightweight conditional LoRA into the language model's forward pass during inference, without the need for fine-tuning the model's entire set of weights. We achieve efficient training by modeling the recursive compression process as a single parallelized forward computation. Through evaluations on conversation, personalization, and multi-task learning, we demonstrate that our approach achieves the performance level of a full context model with $5\times$ smaller context memory size. We further demonstrate the applicability of our approach in a streaming setting with an unlimited context length, outperforming the sliding window approach. Codes are available at https://github.com/snu-mllab/context-memory.  ( 2 min )

Eliciting Latent Knowledge (ELK) aims to find patterns in a capable neural network's activations which robustly track the true state of the world, even when the network's overt output is false or misleading. To further ELK research, we introduce 12 datasets and a corresponding suite of "quirky" language models that are LoRA finetuned to make systematic errors when answering questions if and only if the keyword "Bob" is present in the prompt. We demonstrate that simple probing methods can elicit the model's latent knowledge of the correct answer in these contexts, even for problems harder than those the probe was trained on. This is enabled by context-independent knowledge representations located in middle layer activations. We also find that a mechanistic anomaly detection approach can flag untruthful behavior with 94% AUROC. Our results show promise for eliciting reliable knowledge from capable but untrusted models, and facilitates future research empirically investigating ELK methods.  ( 2 min )

Linear feature extraction at the presence of nonlinear dependencies among the data is a fundamental challenge in unsupervised learning. We propose using a probabilistic Gram-Schmidt (GS) type orthogonalization process in order to detect and map out redundant dimensions. Specifically, by applying the GS process over a family of functions which presumably captures the nonlinear dependencies in the data, we construct a series of covariance matrices that can either be used to identify new large-variance directions, or to remove those dependencies from the principal components. In the former case, we provide information-theoretic guarantees in terms of entropy reduction. In the latter, we prove that under certain assumptions the resulting algorithms detect and remove nonlinear dependencies whenever those dependencies lie in the linear span of the chosen function family. Both proposed methods extract linear features from the data while removing nonlinear redundancies. We provide simulation results on synthetic and real-world datasets which show improved performance over PCA and state-of-the-art linear feature extraction algorithms, both in terms of variance maximization of the extracted features, and in terms of improved performance of classification algorithms. Additionally, our methods are comparable and often outperform the non-linear method of kernel PCA.  ( 2 min )

Transformers trained on huge text corpora exhibit a remarkable set of capabilities, e.g., performing basic arithmetic. Given the inherent compositional nature of language, one can expect the model to learn to compose these capabilities, potentially yielding a combinatorial explosion of what operations it can perform on an input. Motivated by the above, we train autoregressive Transformer models on a synthetic data-generating process that involves compositions of a set of well-defined monolithic capabilities. Through a series of extensive and systematic experiments on this data-generating process, we show that: (1) autoregressive Transformers can learn compositional structures from small amounts of training data and generalize to exponentially or even combinatorially many functions; (2) generating intermediate outputs when composing functions is more effective for generalizing to new, unseen compositions than not generating any intermediate outputs (3) biases in the order of the compositions in the training data result in Transformers that fail to compose some combinations of functions; and (4) the attention layers select which capability to apply while the feed-forward layers execute the selected capability.  ( 2 min )

Training large-scale artificial intelligence (AI) models demands significant computational power and energy, leading to increased carbon footprint with potential environmental repercussions. This paper delves into the challenges of training AI models across geographically distributed (geo-distributed) data centers, emphasizing the balance between learning performance and carbon footprint. We consider Federated Learning (FL) as a solution, which prioritizes model parameter exchange over raw data, ensuring data privacy and compliance with local regulations. Given the variability in carbon intensity across regions, we propose a new framework called CAFE (short for Carbon-Aware Federated Learning) to optimize training within a fixed carbon footprint budget. Our approach incorporates coreset selection to assess learning performance, employs the Lyapunov drift-plus-penalty framework to address the unpredictability of future carbon intensity, and devises an efficient algorithm to address the combinatorial complexity of the data center selection. Through extensive simulations using real-world carbon intensity data, we demonstrate the efficacy of our algorithm, highlighting its superiority over existing methods in optimizing learning performance while minimizing environmental impact.  ( 2 min )

Despite remarkable success in various applications, large language models (LLMs) are vulnerable to adversarial jailbreaks that make the safety guardrails void. However, previous studies for jailbreaks usually resort to brute-force optimization or extrapolations of a high computation cost, which might not be practical or effective. In this paper, inspired by the Milgram experiment w.r.t. the authority power for inciting harmfulness, we disclose a lightweight method, termed DeepInception, which can easily hypnotize LLM to be a jailbreaker. Specifically, DeepInception leverages the personification ability of LLM to construct a novel nested scene to behave, which realizes an adaptive way to escape the usage control in a normal scenario. Empirically, our DeepInception can achieve competitive jailbreak success rates with previous counterparts and realize a continuous jailbreak in subsequent interactions, which reveals the critical weakness of self-losing on both open and closed-source LLMs like Falcon, Vicuna-v1.5, Llama-2, and GPT-3.5-turbo/4. Our investigation appeals to people to pay more attention to the safety aspects of LLMs and develop a stronger defense against their misuse risks. The code is publicly available at: https://github.com/tmlr-group/DeepInception.  ( 2 min )

Despite the essential need for comprehensive considerations in responsible AI, factors like robustness, fairness, and causality are often studied in isolation. Adversarial perturbation, used to identify vulnerabilities in models, and individual fairness, aiming for equitable treatment of similar individuals, despite initial differences, both depend on metrics to generate comparable input data instances. Previous attempts to define such joint metrics often lack general assumptions about data or structural causal models and were unable to reflect counterfactual proximity. To address this, our paper introduces a causal fair metric formulated based on causal structures encompassing sensitive attributes and protected causal perturbation. To enhance the practicality of our metric, we propose metric learning as a method for metric estimation and deployment in real-world problems in the absence of structural causal models. We also demonstrate the application of our novel metric in classifiers. Empirical evaluation of real-world and synthetic datasets illustrates the effectiveness of our proposed metric in achieving an accurate classifier with fairness, resilience to adversarial perturbations, and a nuanced understanding of causal relationships.  ( 2 min )

In research areas with scarce data, representation learning plays a significant role. This work aims to enhance representation learning for clinical time series by deriving universal embeddings for clinical features, such as heart rate and blood pressure. We use self-supervised training paradigms for language models to learn high-quality clinical feature embeddings, achieving a finer granularity than existing time-step and patient-level representation learning. We visualize the learnt embeddings via unsupervised dimension reduction techniques and observe a high degree of consistency with prior clinical knowledge. We also evaluate the model performance on the MIMIC-III benchmark and demonstrate the effectiveness of using clinical feature embeddings. We publish our code online for replication.  ( 2 min )

The evolution of privacy-preserving Federated Learning (FL) has led to an increasing demand for implementing the right to be forgotten. The implementation of selective forgetting is particularly challenging in FL due to its decentralized nature. This complexity has given rise to a new field, Federated Unlearning (FU). FU emerges as a strategic solution to address the increasing need for data privacy, including the implementation of the `right to be forgotten'. The primary challenge in developing FU approaches lies in balancing the trade-offs in privacy, security, utility, and efficiency, as these elements often have competing requirements. Achieving an optimal equilibrium among these facets is crucial for maintaining the effectiveness and usability of FL systems while adhering to privacy and security standards. This survey provides a comprehensive analysis of existing FU methods, incorporating a detailed review of the various evaluation metrics. Furthermore, we unify these diverse methods and metrics into an experimental framework. Additionally, the survey discusses potential future research directions in FU. Finally, a continually updated repository of related open-source materials is available at: https://github.com/abbottyanginchina/Awesome-Federated-Unlearning.  ( 2 min )

Maritime transportation is paramount in achieving global economic growth, entailing concurrent ecological obligations in sustainability and safeguarding endangered marine species, most notably preserving large whale populations. In this regard, the Automatic Identification System (AIS) data plays a significant role by offering real-time streaming data on vessel movement, allowing enhanced traffic monitoring. This study explores using AIS data to prevent vessel-to-whale collisions by forecasting long-term vessel trajectories from engineered AIS data sequences. For such a task, we have developed an encoder-decoder model architecture using Bidirectional Long Short-Term Memory Networks (Bi-LSTM) to predict the next 12 hours of vessel trajectories using 1 to 3 hours of AIS data as input. We feed the model with probabilistic features engineered from historical AIS data that refer to each trajectory's potential route and destination. The model then predicts the vessel's trajectory, considering these additional features by leveraging convolutional layers for spatial feature learning and a position-aware attention mechanism that increases the importance of recent timesteps of a sequence during temporal feature learning. The probabilistic features have an F1 Score of approximately 85% and 75% for each feature type, respectively, demonstrating their effectiveness in augmenting information to the neural network. We test our model on the Gulf of St. Lawrence, a region known to be the habitat of North Atlantic Right Whales (NARW). Our model achieved a high R2 score of over 98% using various techniques and features. It stands out among other approaches as it can make complex decisions during turnings and path selection. Our study highlights the potential of data engineering and trajectory forecasting models for marine life species preservation.  ( 3 min )

We present a novel perspective on goal-conditioned reinforcement learning by framing it within the context of denoising diffusion models. Analogous to the diffusion process, where Gaussian noise is used to create random trajectories that walk away from the data manifold, we construct trajectories that move away from potential goal states. We then learn a goal-conditioned policy to reverse these deviations, analogously to the score function. This approach, which we call Merlin, can reach specified goals from an arbitrary initial state without learning a separate value function. In contrast to recent works utilizing diffusion models in offline RL, Merlin stands out as the first method to perform diffusion in the state space, requiring only one ``denoising" iteration per environment step. We experimentally validate our approach in various offline goal-reaching tasks, demonstrating substantial performance enhancements compared to state-of-the-art methods while improving computational efficiency over other diffusion-based RL methods by an order of magnitude. Our results suggest that this perspective on diffusion for RL is a simple, scalable, and practical direction for sequential decision making.  ( 2 min )

This paper proposes a latent prompt Transformer model for solving challenging optimization problems such as molecule design, where the goal is to find molecules with optimal values of a target chemical or biological property that can be computed by an existing software. Our proposed model consists of three components. (1) A latent vector whose prior distribution is modeled by a Unet transformation of a Gaussian white noise vector. (2) A molecule generation model that generates the string-based representation of molecule conditional on the latent vector in (1). We adopt the causal Transformer model that takes the latent vector in (1) as prompt. (3) A property prediction model that predicts the value of the target property of a molecule based on a non-linear regression on the latent vector in (1). We call the proposed model the latent prompt Transformer model. After initial training of the model on existing molecules and their property values, we then gradually shift the model distribution towards the region that supports desired values of the target property for the purpose of molecule design. Our experiments show that our proposed model achieves state of the art performances on several benchmark molecule design tasks.  ( 2 min )

Optimal transport (OT) barycenters are a mathematically grounded way of averaging probability distributions while capturing their geometric properties. In short, the barycenter task is to take the average of a collection of probability distributions w.r.t. given OT discrepancies. We propose a novel algorithm for approximating the continuous Entropic OT (EOT) barycenter for arbitrary OT cost functions. Our approach is built upon the dual reformulation of the EOT problem based on weak OT, which has recently gained the attention of the ML community. Beyond its novelty, our method enjoys several advantageous properties: (i) we establish quality bounds for the recovered solution; (ii) this approach seemlessly interconnects with the Energy-Based Models (EBMs) learning procedure enabling the use of well-tuned algorithms for the problem of interest; (iii) it provides an intuitive optimization scheme avoiding min-max, reinforce and other intricate technical tricks. For validation, we consider several low-dimensional scenarios and image-space setups, including non-Euclidean cost functions. Furthermore, we investigate the practical task of learning the barycenter on an image manifold generated by a pretrained generative model, opening up new directions for real-world applications.  ( 2 min )

In this work we design graph neural network architectures that capture optimal approximation algorithms for a large class of combinatorial optimization problems, using powerful algorithmic tools from semidefinite programming (SDP). Concretely, we prove that polynomial-sized message-passing algorithms can represent the most powerful polynomial time algorithms for Max Constraint Satisfaction Problems assuming the Unique Games Conjecture. We leverage this result to construct efficient graph neural network architectures, OptGNN, that obtain high-quality approximate solutions on landmark combinatorial optimization problems such as Max-Cut, Min-Vertex-Cover, and Max-3-SAT. Our approach achieves strong empirical results across a wide range of real-world and synthetic datasets against solvers and neural baselines. Finally, we take advantage of OptGNN's ability to capture convex relaxations to design an algorithm for producing bounds on the optimal solution from the learned embeddings of OptGNN.  ( 2 min )

Real-life applications of deep neural networks are hindered by their unsteady predictions when faced with noisy inputs and adversarial attacks. The certified radius is in this context a crucial indicator of the robustness of models. However how to design an efficient classifier with an associated certified radius? Randomized smoothing provides a promising framework by relying on noise injection into the inputs to obtain a smoothed and robust classifier. In this paper, we first show that the variance introduced by the Monte-Carlo sampling in the randomized smoothing procedure estimate closely interacts with two other important properties of the classifier, \textit{i.e.} its Lipschitz constant and margin. More precisely, our work emphasizes the dual impact of the Lipschitz constant of the base classifier, on both the smoothed classifier and the empirical variance. Moreover, to increase the certified robust radius, we introduce a different way to convert logits to probability vectors for the base classifier to leverage the variance-margin trade-off. We leverage the use of Bernstein's concentration inequality along with enhanced Lipschitz bounds for randomized smoothing. Experimental results show a significant improvement in certified accuracy compared to current state-of-the-art methods. Our novel certification procedure allows us to use pre-trained models that are used with randomized smoothing, effectively improving the current certification radius in a zero-shot manner.  ( 2 min )

Model-based reinforcement learning (MBRL) holds the promise of sample-efficient learning by utilizing a world model, which models how the environment works and typically encompasses components for two tasks: observation modeling and reward modeling. In this paper, through a dedicated empirical investigation, we gain a deeper understanding of the role each task plays in world models and uncover the overlooked potential of sample-efficient MBRL by mitigating the domination of either observation or reward modeling. Our key insight is that while prevalent approaches of explicit MBRL attempt to restore abundant details of the environment via observation models, it is difficult due to the environment's complexity and limited model capacity. On the other hand, reward models, while dominating implicit MBRL and adept at learning compact task-centric dynamics, are inadequate for sample-efficient learning without richer learning signals. Motivated by these insights and discoveries, we propose a simple yet effective approach, HarmonyDream, which automatically adjusts loss coefficients to maintain task harmonization, i.e. a dynamic equilibrium between the two tasks in world model learning. Our experiments show that the base MBRL method equipped with HarmonyDream gains 10%-69% absolute performance boosts on visual robotic tasks and sets a new state-of-the-art result on the Atari 100K benchmark.  ( 2 min )

In recent years, two competitive time series classification models, namely, ROCKET and MINIROCKET, have garnered considerable attention due to their low training cost and high accuracy. However, they require a large number of random 1-D convolutional kernels to comprehensively capture features, which is incompatible with resource-constrained devices. Despite the development of heuristic algorithms designed to recognize and prune redundant kernels, the inherent time-consuming nature of evolutionary algorithms hinders efficient evaluation. To effectively prune models, this paper removes redundant random kernels from a feature selection perspective by eliminating associating connections in the sequential classifier. Two innovative algorithms are proposed, where the first ADMM-based algorithm formulates the pruning challenge as a group elastic net classification problem, and the second core algorithm named P-ROCKET greatly accelerates the first one by bifurcating the problem into two sequential stages. Stage 1 of P-ROCKET introduces dynamically varying penalties to efficiently implement group-level regularization to delete redundant kernels, and Stage 2 employs element-level regularization on the remaining features to refit a linear classifier for better performance. Experimental results on diverse time series datasets show that P-ROCKET prunes up to 60% of kernels without a significant reduction in accuracy and performs 11 times faster than its counterparts. Our code is publicly available at https://github.com/ShaowuChen/P-ROCKET.  ( 3 min )

Deep Nonnegative Matrix Factorization (deep NMF) has recently emerged as a valuable technique for extracting multiple layers of features across different scales. However, all existing deep NMF models and algorithms have primarily centered their evaluation on the least squares error, which may not be the most appropriate metric for assessing the quality of approximations on diverse datasets. For instance, when dealing with data types such as audio signals and documents, it is widely acknowledged that $\beta$-divergences offer a more suitable alternative. In this paper, we develop new models and algorithms for deep NMF using some $\beta$-divergences, with a focus on the Kullback-Leibler divergence. Subsequently, we apply these techniques to the extraction of facial features, the identification of topics within document collections, and the identification of materials within hyperspectral images.  ( 2 min )

Energy prediction in buildings plays a crucial role in effective energy management. Precise predictions are essential for achieving optimal energy consumption and distribution within the grid. This paper introduces a Long Short-Term Memory (LSTM) model designed to forecast building energy consumption using historical energy data, occupancy patterns, and weather conditions. The LSTM model provides accurate short, medium, and long-term energy predictions for residential and commercial buildings compared to existing prediction models. We compare our LSTM model with established prediction methods, including linear regression, decision trees, and random forest. Encouragingly, the proposed LSTM model emerges as the superior performer across all metrics. It demonstrates exceptional prediction accuracy, boasting the highest R2 score of 0.97 and the most favorable mean absolute error (MAE) of 0.007. An additional advantage of our developed model is its capacity to achieve efficient energy consumption forecasts even when trained on a limited dataset. We address concerns about overfitting (variance) and underfitting (bias) through rigorous training and evaluation on real-world data. In summary, our research contributes to energy prediction by offering a robust LSTM model that outperforms alternative methods and operates with remarkable efficiency, generalizability, and reliability.  ( 3 min )

Quantization emerges as one of the most promising approaches for deploying advanced deep models on resource-constrained hardware. Mixed-precision quantization leverages multiple bit-width architectures to unleash the accuracy and efficiency potential of quantized models. However, existing mixed-precision quantization suffers exhaustive search space that causes immense computational overhead. The quantization process thus relies on separate high-performance devices rather than locally, which also leads to a significant gap between the considered hardware metrics and the real deployment.In this paper, we propose an On-chip Hardware-aware Quantization (OHQ) framework that performs hardware-aware mixed-precision quantization without accessing online devices. First, we construct the On-chip Quantization Awareness (OQA) pipeline, enabling perceive the actual efficiency metrics of the quantization operator on the hardware.Second, we propose Mask-guided Quantization Estimation (MQE) technique to efficiently estimate the accuracy metrics of operators under the constraints of on-chip-level computing power.By synthesizing network and hardware insights through linear programming, we obtain optimized bit-width configurations. Notably, the quantization process occurs on-chip entirely without any additional computing devices and data access. We demonstrate accelerated inference after quantization for various architectures and compression ratios, achieving 70% and 73% accuracy for ResNet-18 and MobileNetV3, respectively. OHQ improves latency by 15~30% compared to INT8 on deployment.  ( 2 min )

Aligning large language models (LLMs) with human values and intents critically involves the use of human or AI feedback. While dense feedback annotations are expensive to acquire and integrate, sparse feedback presents a structural design choice between ratings (e.g., score Response A on a scale of 1-7) and rankings (e.g., is Response A better than Response B?). In this work, we analyze the effect of this design choice for the alignment and evaluation of LLMs. We uncover an inconsistency problem wherein the preferences inferred from ratings and rankings significantly disagree 60% for both human and AI annotators. Our subsequent analysis identifies various facets of annotator biases that explain this phenomena, such as human annotators would rate denser responses higher while preferring accuracy during pairwise judgments. To our surprise, we also observe that the choice of feedback protocol also has a significant effect on the evaluation of aligned LLMs. In particular, we find that LLMs that leverage rankings data for alignment (say model X) are preferred over those that leverage ratings data (say model Y), with a rank-based evaluation protocol (is X/Y's response better than reference response?) but not with a rating-based evaluation protocol (score Rank X/Y's response on a scale of 1-7). Our findings thus shed light on critical gaps in methods for evaluating the real-world utility of language models and their strong dependence on the feedback protocol used for alignment. Our code and data are available at https://github.com/Hritikbansal/sparse_feedback.  ( 3 min )

Large language models have made significant strides in natural language processing, enabling innovative applications in molecular science by processing textual representations of molecules. However, most existing language models cannot capture the rich information with complex molecular structures or images. In this paper, we introduce GIT-Mol, a multi-modal large language model that integrates the Graph, Image, and Text information. To facilitate the integration of multi-modal molecular data, we propose GIT-Former, a novel architecture that is capable of aligning all modalities into a unified latent space. We achieve a 5%-10% accuracy increase in properties prediction and a 20.2% boost in molecule generation validity compared to the baselines. With the any-to-language molecular translation strategy, our model has the potential to perform more downstream tasks, such as compound name recognition and chemical reaction prediction.  ( 2 min )

Limited availability of labeled data for machine learning on multimodal time-series extensively hampers progress in the field. Self-supervised learning (SSL) is a promising approach to learning data representations without relying on labels. However, existing SSL methods require expensive computations of negative pairs and are typically designed for single modalities, which limits their versatility. We introduce CroSSL (Cross-modal SSL), which puts forward two novel concepts: masking intermediate embeddings produced by modality-specific encoders, and their aggregation into a global embedding through a cross-modal aggregator that can be fed to down-stream classifiers. CroSSL allows for handling missing modalities and end-to-end cross-modal learning without requiring prior data preprocessing for handling missing inputs or negative-pair sampling for contrastive learning. We evaluate our method on a wide range of data, including motion sensors such as accelerometers or gyroscopes and biosignals (heart rate, electroencephalograms, electromyograms, electrooculograms, and electrodermal) to investigate the impact of masking ratios and masking strategies for various data types and the robustness of the learned representations to missing data. Overall, CroSSL outperforms previous SSL and supervised benchmarks using minimal labeled data, and also sheds light on how latent masking can improve cross-modal learning. Our code is open-sourced a https://github.com/dr-bell/CroSSL  ( 2 min )

The general sequential decision-making problem, which includes Markov decision processes (MDPs) and partially observable MDPs (POMDPs) as special cases, aims at maximizing a cumulative reward by making a sequence of decisions based on a history of observations and actions over time. Recent studies have shown that the sequential decision-making problem is statistically learnable if it admits a low-rank structure modeled by predictive state representations (PSRs). Despite these advancements, existing approaches typically involve oracles or steps that are computationally intractable. On the other hand, the upper confidence bound (UCB) based approaches, which have served successfully as computationally efficient methods in bandits and MDPs, have not been investigated for more general PSRs, due to the difficulty of optimistic bonus design in these more challenging settings. This paper proposes the first known UCB-type approach for PSRs, featuring a novel bonus term that upper bounds the total variation distance between the estimated and true models. We further characterize the sample complexity bounds for our designed UCB-type algorithms for both online and offline PSRs. In contrast to existing approaches for PSRs, our UCB-type algorithms enjoy computational tractability, last-iterate guaranteed near-optimal policy, and guaranteed model accuracy.  ( 2 min )

Many processes in biology and drug discovery involve various 3D interactions between molecules, such as protein and protein, protein and small molecule, etc. Given that different molecules are usually represented in different granularity, existing methods usually encode each type of molecules independently with different models, leaving it defective to learn the universal underlying interaction physics. In this paper, we first propose to universally represent an arbitrary 3D complex as a geometric graph of sets, shedding light on encoding all types of molecules with one model. We then propose a Generalist Equivariant Transformer (GET) to effectively capture both domain-specific hierarchies and domain-agnostic interaction physics. To be specific, GET consists of a bilevel attention module, a feed-forward module and a layer normalization module, where each module is E(3) equivariant and specialized for handling sets of variable sizes. Notably, in contrast to conventional pooling-based hierarchical models, our GET is able to retain fine-grained information of all levels. Extensive experiments on the interactions between proteins, small molecules and RNA/DNAs verify the effectiveness and generalization capability of our proposed method across different domains.  ( 2 min )

Federated Learning (FL) is a machine learning paradigm that enables clients to jointly train a global model by aggregating the locally trained models without sharing any local training data. In practice, there can often be substantial heterogeneity (e.g., class imbalance) across the local data distributions observed by each of these clients. Under such non-iid data distributions across clients, FL suffers from the 'client-drift' problem where every client drifts to its own local optimum. This results in slower convergence and poor performance of the aggregated model. To address this limitation, we propose a novel regularization technique based on adaptive self-distillation (ASD) for training models on the client side. Our regularization scheme adaptively adjusts to the client's training data based on the global model entropy and the client's label distribution. The proposed regularization can be easily integrated atop existing, state-of-the-art FL algorithms, leading to a further boost in the performance of these off-the-shelf methods. We theoretically explain how ASD reduces client-drift and also explain its generalization ability. We demonstrate the efficacy of our approach through extensive experiments on multiple real-world benchmarks and show substantial gains in performance over state-of-the-art methods.  ( 2 min )

We prove an inverse approximation theorem for the approximation of nonlinear sequence-to-sequence relationships using recurrent neural networks (RNNs). This is a so-called Bernstein-type result in approximation theory, which deduces properties of a target function under the assumption that it can be effectively approximated by a hypothesis space. In particular, we show that nonlinear sequence relationships that can be stably approximated by nonlinear RNNs must have an exponential decaying memory structure - a notion that can be made precise. This extends the previously identified curse of memory in linear RNNs into the general nonlinear setting, and quantifies the essential limitations of the RNN architecture for learning sequential relationships with long-term memory. Based on the analysis, we propose a principled reparameterization method to overcome the limitations. Our theoretical results are confirmed by numerical experiments. The code has been released in https://github.com/radarFudan/Curse-of-memory  ( 2 min )

Suppose we want to train text prediction models in email clients or word processors. These models, which serve billions of predictions per hour, must preserve the privacy of user data and adhere to specific model size constraints to meet memory, inference time requirements, and to reduce inference cost. Building small, fast, and private domain-specific language models is a thriving area of research. In this work, we show that a careful pre-training on a {\em subset} of the public dataset that is guided by the private dataset is crucial to train small DP language models. On standard benchmarks, models trained with our new framework achieve state-of-the-art performance, improving upon all the baselines from the literature. Besides performance improvements, our framework also shows that with careful pre-training and private fine-tuning, smaller models can match the performance of much larger models that do not have access to private data, highlighting the promise of private learning as a tool for model compression and efficiency. In many applications such as health care, finance, etc., private datasets are usually of much higher quality than public datasets, and our work shows novel ways of utilizing private datasets at all the stages of training pipe-line to improve deep learning efficiency. Language models based on our framework have been used in multiple real-world deployments serving billions of predictions per day (and saving millions of dollars in terms of inference cost) highlighting the general applicability of our framework beyond academic benchmarks.  ( 3 min )

We investigate size-induced distribution shifts in graphs and assess their impact on the ability of graph neural networks (GNNs) to generalize to larger graphs relative to the training data. Existing literature presents conflicting conclusions on GNNs' size generalizability, primarily due to disparities in application domains and underlying assumptions concerning size-induced distribution shifts. Motivated by this, we take a data-driven approach: we focus on real biological datasets and seek to characterize the types of size-induced distribution shifts. Diverging from prior approaches, we adopt a spectral perspective and identify that spectrum differences induced by size are related to differences in subgraph patterns (e.g., average cycle lengths). While previous studies have identified that the inability of GNNs in capturing subgraph information negatively impacts their in-distribution generalization, our findings further show that this decline is more pronounced when evaluating on larger test graphs not encountered during training. Based on these spectral insights, we introduce a simple yet effective model-agnostic strategy, which makes GNNs aware of these important subgraph patterns to enhance their size generalizability. Our empirical results reveal that our proposed size-insensitive attention strategy substantially enhances graph classification performance on large test graphs, which are 2-10 times larger than the training graphs, resulting in an improvement in F1 scores by up to 8%.  ( 3 min )

Viewing Transformers as interacting particle systems, we describe the geometry of learned representations when the weights are not time dependent. We show that particles, representing tokens, tend to cluster toward particular limiting objects as time tends to infinity. Cluster locations are determined by the initial tokens, confirming context-awareness of representations learned by Transformers. Using techniques from dynamical systems and partial differential equations, we show that the type of limiting object that emerges depends on the spectrum of the value matrix. Additionally, in the one-dimensional case we prove that the self-attention matrix converges to a low-rank Boolean matrix. The combination of these results mathematically confirms the empirical observation made by Vaswani et al. [VSP'17] that leaders appear in a sequence of tokens when processed by Transformers.  ( 2 min )

We study $K$-armed bandit problems where the reward distributions of the arms are all supported on the $[0,1]$ interval. It has been a challenge to design regret-efficient randomized exploration algorithms in this setting. Maillard sampling~\cite{maillard13apprentissage}, an attractive alternative to Thompson sampling, has recently been shown to achieve competitive regret guarantees in the sub-Gaussian reward setting~\cite{bian2022maillard} while maintaining closed-form action probabilities, which is useful for offline policy evaluation. In this work, we propose the Kullback-Leibler Maillard Sampling (KL-MS) algorithm, a natural extension of Maillard sampling for achieving KL-style gap-dependent regret bound. We show that KL-MS enjoys the asymptotic optimality when the rewards are Bernoulli and has a worst-case regret bound of the form $O(\sqrt{\mu^*(1-\mu^*) K T \ln K} + K \ln T)$, where $\mu^*$ is the expected reward of the optimal arm, and $T$ is the time horizon length.  ( 2 min )

Molecule generation is a very important practical problem, with uses in drug discovery and material design, and AI methods promise to provide useful solutions. However, existing methods for molecule generation focus either on 2D graph structure or on 3D geometric structure, which is not sufficient to represent a complete molecule as 2D graph captures mainly topology while 3D geometry captures mainly spatial atom arrangements. Combining these representations is essential to better represent a molecule. In this paper, we present a new model for generating a comprehensive representation of molecules, including atom features, 2D discrete molecule structures, and 3D continuous molecule coordinates, by combining discrete and continuous diffusion processes. The use of diffusion processes allows for capturing the probabilistic nature of molecular processes and exploring the effect of different factors on molecular structures. Additionally, we propose a novel graph transformer architecture to denoise the diffusion process. The transformer adheres to 3D roto-translation equivariance constraints, allowing it to learn invariant atom and edge representations while preserving the equivariance of atom coordinates. This transformer can be used to learn molecular representations robust to geometric transformations. We evaluate the performance of our model through experiments and comparisons with existing methods, showing its ability to generate more stable and valid molecules. Our model is a promising approach for designing stable and diverse molecules and can be applied to a wide range of tasks in molecular modeling.  ( 3 min )

Graph-based representations and weight-sharing modular policies constitute prominent approaches to tackling composable control problems in Reinforcement Learning (RL). However, as shown by recent graph deep learning literature, message-passing operators can create bottlenecks in information propagation and hinder global coordination. The issue becomes dramatic in tasks where high-level planning is needed. In this work, we propose a novel methodology, named Feudal Graph Reinforcement Learning (FGRL), that addresses such challenges by relying on hierarchical RL and a pyramidal message-passing architecture. In particular, FGRL defines a hierarchy of policies where high-level commands are propagated from the top of the hierarchy down through a layered graph structure. The bottom layers mimic the morphology of the physical system, while the upper layers capture more abstract sub-modules. The resulting agents are then characterized by a committee of policies where actions at a certain level set goals for the level below, thus implementing a hierarchical decision-making structure that encompasses task decomposition. We evaluate the proposed framework on locomotion tasks on benchmark MuJoCo environments and show that FGRL compares favorably against relevant baselines. Furthermore, an in-depth analysis of the command propagation mechanism provides evidence that the introduced message-passing scheme favors the learning of hierarchical decision-making policies.  ( 2 min )

Models trained on one set of domains often suffer performance drops on unseen domains, e.g., when wildlife monitoring models are deployed in new camera locations. In this work, we study principles for designing data augmentations for out-of-domain (OOD) generalization. In particular, we focus on real-world scenarios in which some domain-dependent features are robust, i.e., some features that vary across domains are predictive OOD. For example, in the wildlife monitoring application above, image backgrounds vary across camera locations but indicate habitat type, which helps predict the species of photographed animals. Motivated by theoretical analysis on a linear setting, we propose targeted augmentations, which selectively randomize spurious domain-dependent features while preserving robust ones. We prove that targeted augmentations improve OOD performance, allowing models to generalize better with fewer domains. In contrast, existing approaches such as generic augmentations, which fail to randomize domain-dependent features, and domain-invariant augmentations, which randomize all domain-dependent features, both perform poorly OOD. In experiments on three real-world datasets, we show that targeted augmentations set new states-of-the-art for OOD performance by 3.2-15.2 percentage points.  ( 2 min )

We consider a bandit recommendations problem in which an agent's preferences (representing selection probabilities over recommended items) evolve as a function of past selections, according to an unknown $\textit{preference model}$. In each round, we show a menu of $k$ items (out of $n$ total) to the agent, who then chooses a single item, and we aim to minimize regret with respect to some $\textit{target set}$ (a subset of the item simplex) for adversarial losses over the agent's choices. Extending the setting from Agarwal and Brown (2022), where uniform-memory agents were considered, here we allow for non-uniform memory in which a discount factor is applied to the agent's memory vector at each subsequent round. In the "long-term memory" regime (when the effective memory horizon scales with $T$ sublinearly), we show that efficient sublinear regret is obtainable with respect to the set of $\textit{everywhere instantaneously realizable distributions}$ (the "EIRD set", as formulated in prior work) for any $\textit{smooth}$ preference model. Further, for preferences which are bounded above and below by linear functions of memory weight (we call these "scale-bounded" preferences) we give an algorithm which obtains efficient sublinear regret with respect to nearly the $\textit{entire}$ item simplex. We show an NP-hardness result for expanding to targets beyond EIRD in general. In the "short-term memory" regime (when the memory horizon is constant), we show that scale-bounded preferences again enable efficient sublinear regret for nearly the entire simplex even without smoothness if losses do not change too frequently, yet we show an information-theoretic barrier for competing against the EIRD set under arbitrary smooth preference models even when losses are constant.  ( 3 min )

Markov Chain Monte Carlo methods for sampling from complex distributions and estimating normalization constants often simulate samples from a sequence of intermediate distributions along an annealing path, which bridges between a tractable initial distribution and a target density of interest. Prior works have constructed annealing paths using quasi-arithmetic means, and interpreted the resulting intermediate densities as minimizing an expected divergence to the endpoints. To analyze these variational representations of annealing paths, we extend known results showing that the arithmetic mean over arguments minimizes the expected Bregman divergence to a single representative point. In particular, we obtain an analogous result for quasi-arithmetic means, when the inputs to the Bregman divergence are transformed under a monotonic embedding function. Our analysis highlights the interplay between quasi-arithmetic means, parametric families, and divergence functionals using the rho-tau representational Bregman divergence framework, and associates common divergence functionals with intermediate densities along an annealing path.  ( 2 min )

To cope with real-world dynamics, an intelligent system needs to incrementally acquire, update, accumulate, and exploit knowledge throughout its lifetime. This ability, known as continual learning, provides a foundation for AI systems to develop themselves adaptively. In a general sense, continual learning is explicitly limited by catastrophic forgetting, where learning a new task usually results in a dramatic performance degradation of the old tasks. Beyond this, increasingly numerous advances have emerged in recent years that largely extend the understanding and application of continual learning. The growing and widespread interest in this direction demonstrates its realistic significance as well as complexity. In this work, we present a comprehensive survey of continual learning, seeking to bridge the basic settings, theoretical foundations, representative methods, and practical applications. Based on existing theoretical and empirical results, we summarize the general objectives of continual learning as ensuring a proper stability-plasticity trade-off and an adequate intra/inter-task generalizability in the context of resource efficiency. Then we provide a state-of-the-art and elaborated taxonomy, extensively analyzing how representative methods address continual learning, and how they are adapted to particular challenges in realistic applications. Through an in-depth discussion of promising directions, we believe that such a holistic perspective can greatly facilitate subsequent exploration in this field and beyond.  ( 3 min )

Contrastive learning is an effective unsupervised method in graph representation learning, and the key component of contrastive learning lies in the construction of positive and negative samples. Previous methods usually utilize the proximity of nodes in the graph as the principle. Recently, the data-augmentation-based contrastive learning method has advanced to show great power in the visual domain, and some works extended this method from images to graphs. However, unlike the data augmentation on images, the data augmentation on graphs is far less intuitive and much harder to provide high-quality contrastive samples, which leaves much space for improvement. In this work, by introducing an adversarial graph view for data augmentation, we propose a simple but effective method, Adversarial Graph Contrastive Learning (ARIEL), to extract informative contrastive samples within reasonable constraints. We develop a new technique called information regularization for stable training and use subgraph sampling for scalability. We generalize our method from node-level contrastive learning to the graph level by treating each graph instance as a super-node. ARIEL consistently outperforms the current graph contrastive learning methods for both node-level and graph-level classification tasks on real-world datasets. We further demonstrate that ARIEL is more robust in the face of adversarial attacks.  ( 2 min )

Concept-based interpretations of black-box models are often more intuitive for humans to understand. The most widely adopted approach for concept-based interpretation is Concept Activation Vector (CAV). CAV relies on learning a linear relation between some latent representation of a given model and concepts. The linear separability is usually implicitly assumed but does not hold true in general. In this work, we started from the original intent of concept-based interpretation and proposed Concept Gradient (CG), extending concept-based interpretation beyond linear concept functions. We showed that for a general (potentially non-linear) concept, we can mathematically evaluate how a small change of concept affecting the model's prediction, which leads to an extension of gradient-based interpretation to the concept space. We demonstrated empirically that CG outperforms CAV in both toy examples and real world datasets.  ( 2 min )

Distribution comparison plays a central role in many machine learning tasks like data classification and generative modeling. In this study, we propose a novel metric, called Hilbert curve projection (HCP) distance, to measure the distance between two probability distributions with low complexity. In particular, we first project two high-dimensional probability distributions using Hilbert curve to obtain a coupling between them, and then calculate the transport distance between these two distributions in the original space, according to the coupling. We show that HCP distance is a proper metric and is well-defined for probability measures with bounded supports. Furthermore, we demonstrate that the modified empirical HCP distance with the $L_p$ cost in the $d$-dimensional space converges to its population counterpart at a rate of no more than $O(n^{-1/2\max\{d,p\}})$. To suppress the curse-of-dimensionality, we also develop two variants of the HCP distance using (learnable) subspace projections. Experiments on both synthetic and real-world data show that our HCP distance works as an effective surrogate of the Wasserstein distance with low complexity and overcomes the drawbacks of the sliced Wasserstein distance.  ( 2 min )

We consider the problem of federated learning in a one-shot setting in which there are $m$ machines, each observing $n$ sample functions from an unknown distribution on non-convex loss functions. Let $F:[-1,1]^d\to\mathbb{R}$ be the expected loss function with respect to this unknown distribution. The goal is to find an estimate of the minimizer of $F$. Based on its observations, each machine generates a signal of bounded length $B$ and sends it to a server. The server collects signals of all machines and outputs an estimate of the minimizer of $F$. We show that the expected loss of any algorithm is lower bounded by $\max\big(1/(\sqrt{n}(mB)^{1/d}), 1/\sqrt{mn}\big)$, up to a logarithmic factor. We then prove that this lower bound is order optimal in $m$ and $n$ by presenting a distributed learning algorithm, called Multi-Resolution Estimator for Non-Convex loss function (MRE-NC), whose expected loss matches the lower bound for large $mn$ up to polylogarithmic factors.  ( 2 min )

Training neural networks usually require large numbers of sensitive training data, and how to protect the privacy of training data has thus become a critical topic in deep learning research. InstaHide is a state-of-the-art scheme to protect training data privacy with only minor effects on test accuracy, and its security has become a salient question. In this paper, we systematically study recent attacks on InstaHide and present a unified framework to understand and analyze these attacks. We find that existing attacks either do not have a provable guarantee or can only recover a single private image. On the current InstaHide challenge setup, where each InstaHide image is a mixture of two private images, we present a new algorithm to recover all the private images with a provable guarantee and optimal sample complexity. In addition, we also provide a computational hardness result on retrieving all InstaHide images. Our results demonstrate that InstaHide is not information-theoretically secure but computationally secure in the worst case, even when mixing two private images.  ( 2 min )

We describe and study a transport based procedure called NetOTC (network optimal transition coupling) for the comparison and alignment of two networks. The networks of interest may be directed or undirected, weighted or unweighted, and may have distinct vertex sets of different sizes. Given two networks and a cost function relating their vertices, NetOTC finds a transition coupling of their associated random walks having minimum expected cost. The minimizing cost quantifies the difference between the networks, while the optimal transport plan itself provides alignments of both the vertices and the edges of the two networks. Coupling of the full random walks, rather than their marginal distributions, ensures that NetOTC captures local and global information about the networks, and preserves edges. NetOTC has no free parameters, and does not rely on randomization. We investigate a number of theoretical properties of NetOTC and present experiments establishing its empirical performance.  ( 2 min )

Outsourcing deep neural networks (DNNs) inference tasks to an untrusted cloud raises data privacy and integrity concerns. While there are many techniques to ensure privacy and integrity for polynomial-based computations, DNNs involve non-polynomial computations. To address these challenges, several privacy-preserving and verifiable inference techniques have been proposed based on replacing the non-polynomial activation functions such as the rectified linear unit (ReLU) function with polynomial activation functions. Such techniques usually require polynomials with integer coefficients or polynomials over finite fields. Motivated by such requirements, several works proposed replacing the ReLU function with the square function. In this work, we empirically show that the square function is not the best degree-2 polynomial that can replace the ReLU function even when restricting the polynomials to have integer coefficients. We instead propose a degree-2 polynomial activation function with a first order term and empirically show that it can lead to much better models. Our experiments on the CIFAR and Tiny ImageNet datasets on various architectures such as VGG-16 show that our proposed function improves the test accuracy by up to 10.4% compared to the square function.  ( 3 min )

We propose a framework for learning calibrated uncertainties under domain shifts, where the source (training) distribution differs from the target (test) distribution. We detect such domain shifts via a differentiable density ratio estimator and train it together with the task network, composing an adjusted softmax predictive form concerning domain shift. In particular, the density ratio estimation reflects the closeness of a target (test) sample to the source (training) distribution. We employ it to adjust the uncertainty of prediction in the task network. This idea of using the density ratio is based on the distributionally robust learning (DRL) framework, which accounts for the domain shift by adversarial risk minimization. We show that our proposed method generates calibrated uncertainties that benefit downstream tasks, such as unsupervised domain adaptation (UDA) and semi-supervised learning (SSL). On these tasks, methods like self-training and FixMatch use uncertainties to select confident pseudo-labels for re-training. Our experiments show that the introduction of DRL leads to significant improvements in cross-domain performance. We also show that the estimated density ratios align with human selection frequencies, suggesting a positive correlation with a proxy of human perceived uncertainties.  ( 3 min )

Intelligent agents powered by large language models (LLMs) have demonstrated substantial promise in autonomously conducting experiments and facilitating scientific discoveries across various disciplines. While their capabilities are promising, they also introduce novel vulnerabilities that demand careful consideration for safety. However, there exists a notable gap in the literature, as there has been no comprehensive exploration of these vulnerabilities. This position paper fills this gap by conducting a thorough examination of vulnerabilities in LLM-based agents within scientific domains, shedding light on potential risks associated with their misuse and emphasizing the need for safety measures. We begin by providing a comprehensive overview of the potential risks inherent to scientific LLM agents, taking into account user intent, the specific scientific domain, and their potential impact on the external environment. Then, we delve into the origins of these vulnerabilities and provide a scoping review of the limited existing works. Based on our analysis, we propose a triadic framework involving human regulation, agent alignment, and an understanding of environmental feedback (agent regulation) to mitigate these identified risks. Furthermore, we highlight the limitations and challenges associated with safeguarding scientific agents and advocate for the development of improved models, robust benchmarks, and comprehensive regulations to address these issues effectively.  ( 2 min )

In recent years, few-shot learning problems have received a lot of attention. While methods in most previous works were trained and tested on datasets in one single domain, cross-domain few-shot learning is a brand-new branch of few-shot learning problems, where models handle datasets in different domains between training and testing phases. In this paper, to solve the problem that the model is pre-trained (meta-trained) on a single dataset while fine-tuned on datasets in four different domains, including common objects, satellite images, and medical images, we propose a novel large margin fine-tuning method (LMM-PQS), which generates pseudo query images from support images and fine-tunes the feature extraction modules with a large margin mechanism inspired by methods in face recognition. According to the experiment results, LMM-PQS surpasses the baseline models by a significant margin and demonstrates that our approach is robust and can easily adapt pre-trained models to new domains with few data.  ( 2 min )

Backhaul traffic congestion caused by the video traffic of a few popular files can be alleviated by storing the to-be-requested content at various levels in wireless video caching networks. Typically, content service providers (CSPs) own the content, and the users request their preferred content from the CSPs using their (wireless) internet service providers (ISPs). As these parties do not reveal their private information and business secrets, traditional techniques may not be readily used to predict the dynamic changes in users' future demands. Motivated by this, we propose a novel resource-aware hierarchical federated learning (RawHFL) solution for predicting user's future content requests. A practical data acquisition technique is used that allows the user to update its local training dataset based on its requested content. Besides, since networking and other computational resources are limited, considering that only a subset of the users participate in the model training, we derive the convergence bound of the proposed algorithm. Based on this bound, we minimize a weighted utility function for jointly configuring the controllable parameters to train the RawHFL energy efficiently under practical resource constraints. Our extensive simulation results validate the proposed algorithm's superiority, in terms of test accuracy and energy cost, over existing baselines.  ( 2 min )

Scaling laws provide important insights that can guide the design of large language models (LLMs). Existing work has primarily focused on studying scaling laws for pretraining (upstream) loss. However, in transfer learning settings, in which LLMs are pretrained on an unsupervised dataset and then finetuned on a downstream task, we often also care about the downstream performance. In this work, we study the scaling behavior in a transfer learning setting, where LLMs are finetuned for machine translation tasks. Specifically, we investigate how the choice of the pretraining data and its size affect downstream performance (translation quality) as judged by two metrics: downstream cross-entropy and BLEU score. Our experiments indicate that the size of the finetuning dataset and the distribution alignment between the pretraining and downstream data significantly influence the scaling behavior. With sufficient alignment, both downstream cross-entropy and BLEU score improve monotonically with more pretraining data. In such cases, we show that it is possible to predict the downstream BLEU score with good accuracy using a log-law. However, there are also cases where moderate misalignment causes the BLEU score to fluctuate or get worse with more pretraining, whereas downstream cross-entropy monotonically improves. By analyzing these observations, we provide new practical insights for choosing appropriate pretraining data.  ( 2 min )

With the advent of artificial intelligence (AI) and machine learning (ML), various domains of science and engineering communites has leveraged data-driven surrogates to model complex systems from numerous sources of information (data). The proliferation has led to significant reduction in cost and time involved in development of superior systems designed to perform specific functionalities. A high proposition of such surrogates are built extensively fusing multiple sources of data, may it be published papers, patents, open repositories, or other resources. However, not much attention has been paid to the differences in quality and comprehensiveness of the known and unknown underlying physical parameters of the information sources that could have downstream implications during system optimization. Towards resolving this issue, a multi-source data fusion framework based on Latent Variable Gaussian Process (LVGP) is proposed. The individual data sources are tagged as a characteristic categorical variable that are mapped into a physically interpretable latent space, allowing the development of source-aware data fusion modeling. Additionally, a dissimilarity metric based on the latent variables of LVGP is introduced to study and understand the differences in the sources of data. The proposed approach is demonstrated on and analyzed through two mathematical (representative parabola problem, 2D Ackley function) and two materials science (design of FeCrAl and SmCoFe alloys) case studies. From the case studies, it is observed that compared to using single-source and source unaware ML models, the proposed multi-source data fusion framework can provide better predictions for sparse-data problems, interpretability regarding the sources, and enhanced modeling capabilities by taking advantage of the correlations and relationships among different sources.  ( 3 min )

Developing a generalist agent is a longstanding objective in artificial intelligence. Previous efforts utilizing extensive offline datasets from various tasks demonstrate remarkable performance in multitasking scenarios within Reinforcement Learning.However, these works encounter challenges in extending their capabilities to new tasks.Recent approaches integrate textual guidance or visual trajectory into decision networks to provide task-specific contextual cues, representing a promising direction.However, it is observed that relying solely on textual guidance or visual trajectory is insufficient for accurately conveying the contextual information of tasks.This paper explores enhanced forms of task guidance for agents, enabling them to comprehend gameplay instructions, thereby facilitating a "read-to-play" capability.Drawing inspiration from the success of multimodal instruction tuning in visual tasks, we treat the visual-based RL task as a long-horizon vision task and construct a set of multimodal game instructions to incorporate instruction tuning into a decision transformer.Experimental results demonstrate that incorporating multimodal game instructions significantly enhances the decision transformer's multitasking and generalization capabilities.  ( 2 min )

In this paper, we perform a non-asymptotic analysis of the federated linear stochastic approximation (FedLSA) algorithm. We explicitly quantify the bias introduced by local training with heterogeneous agents, and investigate the sample complexity of the algorithm. We show that the communication complexity of FedLSA scales polynomially with the desired precision $\epsilon$, which limits the benefits of federation. To overcome this, we propose SCAFFLSA, a novel variant of FedLSA, that uses control variates to correct the bias of local training, and prove its convergence without assumptions on statistical heterogeneity. We apply the proposed methodology to federated temporal difference learning with linear function approximation, and analyze the corresponding complexity improvements.  ( 2 min )

The dominance of social media has added to the channels of bullying for perpetrators. Unfortunately, cyberbullying (CB) is the most prevalent phenomenon in todays cyber world, and is a severe threat to the mental and physical health of citizens. This opens the need to develop a robust system to prevent bullying content from online forums, blogs, and social media platforms to manage the impact in our society. Several machine learning (ML) algorithms have been proposed for this purpose. However, their performances are not consistent due to high class imbalance and generalisation issues. In recent years, large language models (LLMs) like BERT and RoBERTa have achieved state-of-the-art (SOTA) results in several natural language processing (NLP) tasks. Unfortunately, the LLMs have not been applied extensively for CB detection. In our paper, we explored the use of these models for cyberbullying (CB) detection. We have prepared a new dataset (D2) from existing studies (Formspring and Twitter). Our experimental results for dataset D1 and D2 showed that RoBERTa outperformed other models.  ( 2 min )

Autonomous robots exploring unknown areas face a significant challenge -- navigating effectively without prior maps and with limited external feedback. This challenge intensifies in sparse reward environments, where traditional exploration techniques often fail. In this paper, we introduce TopoNav, a novel framework that empowers robots to overcome these constraints and achieve efficient, adaptable, and goal-oriented exploration. TopoNav's fundamental building blocks are active topological mapping, intrinsic reward mechanisms, and hierarchical objective prioritization. Throughout its exploration, TopoNav constructs a dynamic topological map that captures key locations and pathways. It utilizes intrinsic rewards to guide the robot towards designated sub-goals within this map, fostering structured exploration even in sparse reward settings. To ensure efficient navigation, TopoNav employs the Hierarchical Objective-Driven Active Topologies framework, enabling the robot to prioritize immediate tasks like obstacle avoidance while maintaining focus on the overall goal. We demonstrate TopoNav's effectiveness in simulated environments that replicate real-world conditions. Our results reveal significant improvements in exploration efficiency, navigational accuracy, and adaptability to unforeseen obstacles, showcasing its potential to revolutionize autonomous exploration in a wide range of applications, including search and rescue, environmental monitoring, and planetary exploration.  ( 2 min )

Contrastive Language-Image Pretraining (CLIP) has gained popularity for its remarkable zero-shot capacity. Recent research has focused on developing efficient fine-tuning methods, such as prompt learning and adapter, to enhance CLIP's performance in downstream tasks. However, these methods still require additional training time and computational resources, which is undesirable for devices with limited resources. In this paper, we revisit a classical algorithm, Gaussian Discriminant Analysis (GDA), and apply it to the downstream classification of CLIP. Typically, GDA assumes that features of each class follow Gaussian distributions with identical covariance. By leveraging Bayes' formula, the classifier can be expressed in terms of the class means and covariance, which can be estimated from the data without the need for training. To integrate knowledge from both visual and textual modalities, we ensemble it with the original zero-shot classifier within CLIP. Extensive results on 17 datasets validate that our method surpasses or achieves comparable results with state-of-the-art methods on few-shot classification, imbalanced learning, and out-of-distribution generalization. In addition, we extend our method to base-to-new generalization and unsupervised learning, once again demonstrating its superiority over competing approaches. Our code is publicly available at \url{https://github.com/mrflogs/ICLR24}.  ( 2 min )

Graph generation is integral to various engineering and scientific disciplines. Nevertheless, existing methodologies tend to overlook the generation of edge attributes. However, we identify critical applications where edge attributes are essential, making prior methods potentially unsuitable in such contexts. Moreover, while trivial adaptations are available, empirical investigations reveal their limited efficacy as they do not properly model the interplay among graph components. To address this, we propose a joint score-based model of nodes and edges for graph generation that considers all graph components. Our approach offers two key novelties: (i) node and edge attributes are combined in an attention module that generates samples based on the two ingredients; and (ii) node, edge and adjacency information are mutually dependent during the graph diffusion process. We evaluate our method on challenging benchmarks involving real-world and synthetic datasets in which edge features are crucial. Additionally, we introduce a new synthetic dataset that incorporates edge values. Furthermore, we propose a novel application that greatly benefits from the method due to its nature: the generation of traffic scenes represented as graphs. Our method outperforms other graph generation methods, demonstrating a significant advantage in edge-related measures.  ( 2 min )

Graph neural networks (GNNs) have gained popularity for various graph-related tasks. However, similar to deep neural networks, GNNs are also vulnerable to adversarial attacks. Empirical studies have shown that adversarially robust generalization has a pivotal role in establishing effective defense algorithms against adversarial attacks. In this paper, we contribute by providing adversarially robust generalization bounds for two kinds of popular GNNs, graph convolutional network (GCN) and message passing graph neural network, using the PAC-Bayesian framework. Our result reveals that spectral norm of the diffusion matrix on the graph and spectral norm of the weights as well as the perturbation factor govern the robust generalization bounds of both models. Our bounds are nontrivial generalizations of the results developed in (Liao et al., 2020) from the standard setting to adversarial setting while avoiding exponential dependence of the maximum node degree. As corollaries, we derive better PAC-Bayesian robust generalization bounds for GCN in the standard setting, which improve the bounds in (Liao et al., 2020) by avoiding exponential dependence on the maximum node degree.  ( 2 min )

The scarcity of available text corpora for low-resource languages like Albanian is a serious hurdle for research in natural language processing tasks. This paper introduces AlbNews, a collection of 600 topically labeled news headlines and 2600 unlabeled ones in Albanian. The data can be freely used for conducting topic modeling research. We report the initial classification scores of some traditional machine learning classifiers trained with the AlbNews samples. These results show that basic models outrun the ensemble learning ones and can serve as a baseline for future experiments.  ( 2 min )

This study introduces Polyp-DDPM, a diffusion-based method for generating realistic images of polyps conditioned on masks, aimed at enhancing the segmentation of gastrointestinal (GI) tract polyps. Our approach addresses the challenges of data limitations, high annotation costs, and privacy concerns associated with medical images. By conditioning the diffusion model on segmentation masks-binary masks that represent abnormal areas-Polyp-DDPM outperforms state-of-the-art methods in terms of image quality (achieving a Frechet Inception Distance (FID) score of 78.47, compared to scores above 83.79) and segmentation performance (achieving an Intersection over Union (IoU) of 0.7156, versus less than 0.6694 for synthetic images from baseline models and 0.7067 for real data). Our method generates a high-quality, diverse synthetic dataset for training, thereby enhancing polyp segmentation models to be comparable with real images and offering greater data augmentation capabilities to improve segmentation models. The source code and pretrained weights for Polyp-DDPM are made publicly available at https://github.com/mobaidoctor/polyp-ddpm.  ( 2 min )

It is well known that the state space (SS) model formulation of a Gaussian process (GP) can lower its training and prediction time both to O(n) for n data points. We prove that an $m$-dimensional SS model formulation of GP is equivalent to a concept we introduce as the general right Kernel Packet (KP): a transformation for the GP covariance function $K$ such that $\sum_{i=0}^{m}a_iD_t^{(j)}K(t,t_i)=0$ holds for any $t \leq t_1$, 0 $\leq j \leq m-1$, and $m+1$ consecutive points $t_i$, where ${D}_t^{(j)}f(t) $ denotes $j$-th order derivative acting on $t$. We extend this idea to the backward SS model formulation of the GP, leading to the concept of the left KP for next $m$ consecutive points: $\sum_{i=0}^{m}b_i{D}_t^{(j)}K(t,t_{m+i})=0$ for any $t\geq t_{2m}$. By combining both left and right KPs, we can prove that a suitable linear combination of these covariance functions yields $m$ compactly supported KP functions: $\phi^{(j)}(t)=0$ for any $t\not\in(t_0,t_{2m})$ and $j=0,\cdots,m-1$. KPs further reduces the prediction time of GP to O(log n) or even O(1) and can be applied to more general problems involving the derivative of GPs.  ( 2 min )

Orthogonal recurrent neural networks (ORNNs) are an appealing option for learning tasks involving time series with long-term dependencies, thanks to their simplicity and computational stability. However, these networks often require a substantial number of parameters to perform well, which can be prohibitive in power-constrained environments, such as compact devices. One approach to address this issue is neural network quantization. The construction of such networks remains an open problem, acknowledged for its inherent instability.In this paper, we explore the quantization of the recurrent and input weight matrices in ORNNs, leading to Quantized approximately Orthogonal RNNs (QORNNs). We investigate one post-training quantization (PTQ) strategy and three quantization-aware training (QAT) algorithms that incorporate orthogonal constraints and quantized weights. Empirical results demonstrate the advantages of employing QAT over PTQ. The most efficient model achieves results similar to state-of-the-art full-precision ORNN and LSTM on a variety of standard benchmarks, even with 3-bits quantization.  ( 2 min )

The Adaptive Momentum Estimation (Adam) algorithm is highly effective in training various deep learning tasks. Despite this, there's limited theoretical understanding for Adam, especially when focusing on its vanilla form in non-convex smooth scenarios with potential unbounded gradients and affine variance noise. In this paper, we study vanilla Adam under these challenging conditions. We introduce a comprehensive noise model which governs affine variance noise, bounded noise and sub-Gaussian noise. We show that Adam can find a stationary point with a $\mathcal{O}(\text{poly}(\log T)/\sqrt{T})$ rate in high probability under this general noise model where $T$ denotes total number iterations, matching the lower rate of stochastic first-order algorithms up to logarithm factors. More importantly, we reveal that Adam is free of tuning step-sizes with any problem-parameters, yielding a better adaptation property than the Stochastic Gradient Descent under the same conditions. We also provide a probabilistic convergence result for Adam under a generalized smooth condition which allows unbounded smoothness parameters and has been illustrated empirically to more accurately capture the smooth property of many practical objective functions.  ( 2 min )

We study the effect of the batch size to the total gradient variance in differentially private stochastic gradient descent (DP-SGD), seeking a theoretical explanation for the usefulness of large batch sizes. As DP-SGD is the basis of modern DP deep learning, its properties have been widely studied, and recent works have empirically found large batch sizes to be beneficial. However, theoretical explanations of this benefit are currently heuristic at best. We first observe that the total gradient variance in DP-SGD can be decomposed into subsampling-induced and noise-induced variances. We then prove that in the limit of an infinite number of iterations, the effective noise-induced variance is invariant to the batch size. The remaining subsampling-induced variance decreases with larger batch sizes, so large batches reduce the effective total gradient variance. We confirm numerically that the asymptotic regime is relevant in practical settings when the batch size is not small, and find that outside the asymptotic regime, the total gradient variance decreases even more with large batch sizes. We also find a sufficient condition that implies that large batch sizes similarly reduce effective DP noise variance for one iteration of DP-SGD.  ( 2 min )

Deep learning is closing the gap with humans on several object recognition benchmarks. Here we investigate this gap in the context of challenging images where objects are seen from unusual viewpoints. We find that humans excel at recognizing objects in unusual poses, in contrast with state-of-the-art pretrained networks (EfficientNet, SWAG, ViT, SWIN, BEiT, ConvNext) which are systematically brittle in this condition. Remarkably, as we limit image exposure time, human performance degrades to the level of deep networks, suggesting that additional mental processes (requiring additional time) take place when humans identify objects in unusual poses. Finally, our analysis of error patterns of humans vs. networks reveals that even time-limited humans are dissimilar to feed-forward deep networks. We conclude that more work is needed to bring computer vision systems to the level of robustness of the human visual system. Understanding the nature of the mental processes taking place during extra viewing time may be key to attain such robustness.  ( 2 min )

Spanning over two decades, the study of qubits in semiconductors for quantum computing has yielded significant breakthroughs. However, the development of large-scale semiconductor quantum circuits is still limited by challenges in efficiently tuning and operating these circuits. Identifying optimal operating conditions for these qubits is complex, involving the exploration of vast parameter spaces. This presents a real 'needle in the haystack' problem, which, until now, has resisted complete automation due to device variability and fabrication imperfections. In this study, we present the first fully autonomous tuning of a semiconductor qubit, from a grounded device to Rabi oscillations, a clear indication of successful qubit operation. We demonstrate this automation, achieved without human intervention, in a Ge/Si core/shell nanowire device. Our approach integrates deep learning, Bayesian optimization, and computer vision techniques. We expect this automation algorithm to apply to a wide range of semiconductor qubit devices, allowing for statistical studies of qubit quality metrics. As a demonstration of the potential of full automation, we characterise how the Rabi frequency and g-factor depend on barrier gate voltages for one of the qubits found by the algorithm. Twenty years after the initial demonstrations of spin qubit operation, this significant advancement is poised to finally catalyze the operation of large, previously unexplored quantum circuits.  ( 3 min )

Large language models (LLMs) have recently gained much popularity due to their surprising ability at generating human-like English sentences. LLMs are essentially predictors, estimating the probability of a sequence of words given the past. Therefore, it is natural to evaluate their performance from a universal prediction perspective. In order to do that fairly, we introduce the notion of batch regret as a modification of the classical average regret, and we study its asymptotical value for add-constant predictors, in the case of memoryless sources and first-order Markov sources.  ( 2 min )

Exemplar-Free Class Incremental Learning (EFCIL) aims to learn from a sequence of tasks without having access to previous task data. In this paper, we consider the challenging Cold Start scenario in which insufficient data is available in the first task to learn a high-quality backbone. This is especially challenging for EFCIL since it requires high plasticity, which results in feature drift which is difficult to compensate for in the exemplar-free setting. To address this problem, we propose a simple and effective approach that consolidates feature representations by regularizing drift in directions highly relevant to previous tasks and employs prototypes to reduce task-recency bias. Our method, called Elastic Feature Consolidation (EFC), exploits a tractable second-order approximation of feature drift based on an Empirical Feature Matrix (EFM). The EFM induces a pseudo-metric in feature space which we use to regularize feature drift in important directions and to update Gaussian prototypes used in a novel asymmetric cross entropy loss which effectively balances prototype rehearsal with data from new tasks. Experimental results on CIFAR-100, Tiny-ImageNet, ImageNet-Subset and ImageNet-1K demonstrate that Elastic Feature Consolidation is better able to learn new tasks by maintaining model plasticity and significantly outperform the state-of-the-art.  ( 2 min )

Knowledge distillation (KD) is widely used for compressing a teacher model to a smaller student model, reducing its inference cost and memory footprint while preserving model capabilities. However, current KD methods for auto-regressive sequence models (e.g., large language models) suffer from missing a standardized objective function. Moreover, the recent use of student-generated outputs to address training-inference mismatches has significantly escalated computational costs. To tackle these issues, we introduce DistiLLM, a more effective and efficient KD framework for auto-regressive language models. DistiLLM comprises two components: (1) a novel skew Kullback-Leibler divergence loss, where we unveil and leverage its theoretical properties, and (2) an adaptive off-policy approach designed to enhance the efficiency in utilizing student-generated outputs. Extensive experiments, including instruction-following tasks, demonstrate the effectiveness of DistiLLM in building high-performing student models while achieving up to 4.3$\times$ speedup compared to recent KD methods.  ( 2 min )

Predicting the movement of other road users is beneficial for improving automated vehicle (AV) performance. However, the relationship between the time horizon associated with these predictions and AV performance remains unclear. Despite the existence of numerous trajectory prediction algorithms, no studies have been conducted on how varying prediction lengths affect AV safety and other vehicle performance metrics, resulting in undefined horizon requirements for prediction methods. Our study addresses this gap by examining the effects of different prediction horizons on AV performance, focusing on safety, comfort, and efficiency. Through multiple experiments using a state-of-the-art, risk-based predictive trajectory planner, we simulated predictions with horizons up to 20 seconds. Based on our simulations, we propose a framework for specifying the minimum required and optimal prediction horizons based on specific AV performance criteria and application needs. Our results indicate that a horizon of 1.6 seconds is required to prevent collisions with crossing pedestrians, horizons of 7-8 seconds yield the best efficiency, and horizons up to 15 seconds improve passenger comfort. We conclude that prediction horizon requirements are application-dependent, and recommend aiming for a prediction horizon of 11.8 seconds as a general guideline for applications involving crossing pedestrians.  ( 2 min )

Geometric quantum machine learning (GQML) aims to embed problem symmetries for learning efficient solving protocols. However, the question remains if (G)QML can be routinely used for constructing protocols with an exponential separation from classical analogs. In this Letter we consider Simon's problem for learning properties of Boolean functions, and show that this can be related to an unsupervised circuit classification problem. Using the workflow of geometric QML, we learn from first principles Simon's algorithm, thus discovering an example of BQP$^A\neq$BPP protocol with respect to some dataset (oracle $A$). Our key findings include the development of an equivariant feature map for embedding Boolean functions, based on twirling with respect to identified bitflip and permutational symmetries, and measurement based on invariant observables with a sampling advantage. The proposed workflow points to the importance of data embeddings and classical post-processing, while keeping the variational circuit as a trivial identity operator. Next, developing the intuition for the function learning, we visualize instances as directed computational hypergraphs, and observe that the GQML protocol can access their global topological features for distinguishing bijective and surjective functions. Finally, we discuss the prospects for learning other BQP$^A$-type protocols, and conjecture that this depends on the ability of simplifying embeddings-based oracles $A$ applied as a linear combination of unitaries.  ( 2 min )

Bilevel optimization has seen an increasing presence in various domains of applications. In this work, we propose a framework for solving bilevel optimization problems where variables of both lower and upper level problems are constrained on Riemannian manifolds. We provide several hypergradient estimation strategies on manifolds and study their estimation error. We provide convergence and complexity analysis for the proposed hypergradient descent algorithm on manifolds. We also extend the developments to stochastic bilevel optimization and to the use of general retraction. We showcase the utility of the proposed framework on various applications.  ( 2 min )

Supervised learning has recently garnered significant attention in the field of computational physics due to its ability to effectively extract complex patterns for tasks like solving partial differential equations, or predicting material properties. Traditionally, such datasets consist of inputs given as meshes with a large number of nodes representing the problem geometry (seen as graphs), and corresponding outputs obtained with a numerical solver. This means the supervised learning model must be able to handle large and sparse graphs with continuous node attributes. In this work, we focus on Gaussian process regression, for which we introduce the Sliced Wasserstein Weisfeiler-Lehman (SWWL) graph kernel. In contrast to existing graph kernels, the proposed SWWL kernel enjoys positive definiteness and a drastic complexity reduction, which makes it possible to process datasets that were previously impossible to handle. The new kernel is first validated on graph classification for molecular datasets, where the input graphs have a few tens of nodes. The efficiency of the SWWL kernel is then illustrated on graph regression in computational fluid dynamics and solid mechanics, where the input graphs are made up of tens of thousands of nodes.  ( 2 min )

This paper presents RevOrder, a novel technique aimed at improving arithmetic operations in large language models (LLMs) by reversing the output digits in addition, subtraction, and n-digit by 1-digit (nD by 1D) multiplication tasks. Our method significantly reduces the Count of Sequential Intermediate Digits (CSID) to $\mathcal{O}(1)$, a new metric we introduce to assess equation complexity. Through comprehensive testing, RevOrder not only achieves perfect accuracy in basic arithmetic operations but also substantially boosts LLM performance in division tasks, particularly with large numbers where traditional models struggle. Implementation of RevOrder is cost-effective for both training and inference phases. Moreover, applying RevOrder to fine-tune the LLaMA2-7B model on the GSM8K math task results in a considerable improvement, reducing equation calculation errors by 46% and increasing overall scores from 41.6 to 44.4.  ( 2 min )

The NK hybrid genetic algorithm for clustering is proposed in this paper. In order to evaluate the solutions, the hybrid algorithm uses the NK clustering validation criterion 2 (NKCV2). NKCV2 uses information about the disposition of $N$ small groups of objects. Each group is composed of $K+1$ objects of the dataset. Experimental results show that density-based regions can be identified by using NKCV2 with fixed small $K$. In NKCV2, the relationship between decision variables is known, which in turn allows us to apply gray box optimization. Mutation operators, a partition crossover, and a local search strategy are proposed, all using information about the relationship between decision variables. In partition crossover, the evaluation function is decomposed into $q$ independent components; partition crossover then deterministically returns the best among $2^q$ possible offspring with computational complexity $O(N)$. The NK hybrid genetic algorithm allows the detection of clusters with arbitrary shapes and the automatic estimation of the number of clusters. In the experiments, the NK hybrid genetic algorithm produced very good results when compared to another genetic algorithm approach and to state-of-art clustering algorithms.  ( 2 min )

Synthetic Minority Oversampling Technique (SMOTE) is a common rebalancing strategy for handling imbalanced data sets. Asymptotically, we prove that SMOTE (with default parameter) regenerates the original distribution by simply copying the original minority samples. We also prove that SMOTE density vanishes near the boundary of the support of the minority distribution, therefore justifying the common BorderLine SMOTE strategy. Then we introduce two new SMOTE-related strategies, and compare them with state-of-the-art rebalancing procedures. We show that rebalancing strategies are only required when the data set is highly imbalanced. For such data sets, SMOTE, our proposals, or undersampling procedures are the best strategies.  ( 2 min )

This paper explores the integration of Explainable Automated Machine Learning (AutoML) in the realm of financial engineering, specifically focusing on its application in credit decision-making. The rapid evolution of Artificial Intelligence (AI) in finance has necessitated a balance between sophisticated algorithmic decision-making and the need for transparency in these systems. The focus is on how AutoML can streamline the development of robust machine learning models for credit scoring, while Explainable AI (XAI) methods, particularly SHapley Additive exPlanations (SHAP), provide insights into the models' decision-making processes. This study demonstrates how the combination of AutoML and XAI not only enhances the efficiency and accuracy of credit decisions but also fosters trust and collaboration between humans and AI systems. The findings underscore the potential of explainable AutoML in improving the transparency and accountability of AI-driven financial decisions, aligning with regulatory requirements and ethical considerations.  ( 2 min )

Surface electromyography (sEMG) recordings can be influenced by electrocardiogram (ECG) signals when the muscle being monitored is close to the heart. Several existing methods use signal-processing-based approaches, such as high-pass filter and template subtraction, while some derive mapping functions to restore clean sEMG signals from noisy sEMG (sEMG with ECG interference). Recently, the score-based diffusion model, a renowned generative model, has been introduced to generate high-quality and accurate samples with noisy input data. In this study, we proposed a novel approach, termed SDEMG, as a score-based diffusion model for sEMG signal denoising. To evaluate the proposed SDEMG approach, we conduct experiments to reduce noise in sEMG signals, employing data from an openly accessible source, the Non-Invasive Adaptive Prosthetics database, along with ECG signals from the MIT-BIH Normal Sinus Rhythm Database. The experiment result indicates that SDEMG outperformed comparative methods and produced high-quality sEMG samples. The source code of SDEMG the framework is available at: https://github.com/tonyliu0910/SDEMG  ( 2 min )

The majority of computer vision applications that handle images featuring humans use face detection as a core component. Face detection still has issues, despite much research on the topic. Face detection's accuracy and speed might yet be increased. This review paper shows the progress made in this area as well as the substantial issues that still need to be tackled. The paper provides research directions that can be taken up as research projects in the field of face detection.  ( 2 min )

Molecular Relational Learning (MRL), aiming to understand interactions between molecular pairs, plays a pivotal role in advancing biochemical research. Recently, the adoption of large language models (LLMs), known for their vast knowledge repositories and advanced logical inference capabilities, has emerged as a promising way for efficient and effective MRL. Despite their potential, these methods predominantly rely on the textual data, thus not fully harnessing the wealth of structural information inherent in molecular graphs. Moreover, the absence of a unified framework exacerbates the information underutilization, as it hinders the sharing of interaction rationale learned across diverse datasets. To address these challenges, this work proposes a novel LLM-based multi-modal framework for Molecular inTeraction prediction following Chain-of-Thought (CoT) theory, termed MolTC, which can efficiently integrate rich graphical information of molecular pairs. For achieving a unified MRL, MolTC innovatively develops a dynamic parameter-sharing strategy for cross-dataset information exchange, and introduces a Multi-hierarchical CoT principle to refine training paradigm. Our experiments, conducted across twelve varied datasets involving over 4,000,000 molecular pairs, demonstrate the superiority of our method over current GNN and LLM-based baselines. On the top of that, a comprehensive Molecular Interactive Instructions dataset is constructed for the development of biochemical LLM, including our MolTC. Code is available at https://github.com/MangoKiller/MolTC.  ( 2 min )

The increasing complexity of advanced machine learning models requires innovative approaches to manage computational resources effectively. One such method is the Early Exit strategy, which allows for adaptive computation by providing a mechanism to shorten the processing path for simpler data instances. In this paper, we propose EERO, a new methodology to translate the problem of early exiting to a problem of using multiple classifiers with reject option in order to better select the exiting head for each instance. We calibrate the probabilities of exiting at the different heads using aggregation with exponential weights to guarantee a fixed budget .We consider factors such as Bayesian risk, budget constraints, and head-specific budget consumption. Experimental results, conducted using a ResNet-18 model and a ConvNext architecture on Cifar and ImageNet datasets, demonstrate that our method not only effectively manages budget allocation but also enhances accuracy in overthinking scenarios.  ( 2 min )

This paper investigates the language of propaganda and its stylistic features. It presents the PPN dataset, standing for Propagandist Pseudo-News, a multisource, multilingual, multimodal dataset composed of news articles extracted from websites identified as propaganda sources by expert agencies. A limited sample from this set was randomly mixed with papers from the regular French press, and their URL masked, to conduct an annotation-experiment by humans, using 11 distinct labels. The results show that human annotators were able to reliably discriminate between the two types of press across each of the labels. We propose different NLP techniques to identify the cues used by the annotators, and to compare them with machine classification. They include the analyzer VAGO to measure discourse vagueness and subjectivity, a TF-IDF to serve as a baseline, and four different classifiers: two RoBERTa-based models, CATS using syntax, and one XGBoost combining syntactic and semantic features. Keywords: Propaganda, Fake News, Explainability, AI alignment, Vagueness, Subjectivity, Exaggeration, Stylistic analysis  ( 2 min )

Hyperspectral Imaging (HSI) for fluorescence-guided brain tumor resection enables visualization of differences between tissues that are not distinguishable to humans. This augmentation can maximize brain tumor resection, improving patient outcomes. However, much of the processing in HSI uses simplified linear methods that are unable to capture the non-linear, wavelength-dependent phenomena that must be modeled for accurate recovery of fluorophore abundances. We therefore propose two deep learning models for correction and unmixing, which can account for the nonlinear effects and produce more accurate estimates of abundances. Both models use an autoencoder-like architecture to process the captured spectra. One is trained with protoporphyrin IX (PpIX) concentration labels. The other undergoes semi-supervised training, first learning hyperspectral unmixing self-supervised and then learning to correct fluorescence emission spectra for heterogeneous optical and geometric properties using a reference white-light reflectance spectrum in a few-shot manner. The models were evaluated against phantom and pig brain data with known PpIX concentration; the supervised model achieved Pearson correlation coefficients (R values) between the known and computed PpIX concentrations of 0.997 and 0.990, respectively, whereas the classical approach achieved only 0.93 and 0.82. The semi-supervised approach's R values were 0.98 and 0.91, respectively. On human data, the semi-supervised model gives qualitatively more realistic results than the classical method, better removing bright spots of specular reflectance and reducing the variance in PpIX abundance over biopsies that should be relatively homogeneous. These results show promise for using deep learning to improve HSI in fluorescence-guided neurosurgery.  ( 3 min )

Large language models (LLMs) have recently experienced remarkable progress, where the advent of multi-modal large language models (MLLMs) has endowed LLMs with visual capabilities, leading to impressive performances in various multi-modal tasks. However, those powerful MLLMs such as GPT-4V still fail spectacularly when presented with certain image and text inputs. In this paper, we identify a typical class of inputs that baffles MLLMs, which consist of images that are highly relevant but inconsistent with answers, causing MLLMs to suffer from hallucination. To quantify the effect, we propose CorrelationQA, the first benchmark that assesses the hallucination level given spurious images. This benchmark contains 7,308 text-image pairs across 13 categories. Based on the proposed CorrelationQA, we conduct a thorough analysis on 9 mainstream MLLMs, illustrating that they universally suffer from this instinctive bias to varying degrees. We hope that our curated benchmark and evaluation results aid in better assessments of the MLLMs' robustness in the presence of misleading images. The resource is available in https://github.com/MasaiahHan/CorrelationQA.  ( 2 min )

Can a lightweight Vision Transformer (ViT) match or exceed the performance of Convolutional Neural Networks (CNNs) like ResNet on small datasets with small image resolutions? This report demonstrates that a pure ViT can indeed achieve superior performance through pre-training, using a masked auto-encoder technique with minimal image scaling. Our experiments on the CIFAR-10 and CIFAR-100 datasets involved ViT models with fewer than 3.65 million parameters and a multiply-accumulate (MAC) count below 0.27G, qualifying them as 'lightweight' models. Unlike previous approaches, our method attains state-of-the-art performance among similar lightweight transformer-based architectures without significantly scaling up images from CIFAR-10 and CIFAR-100. This achievement underscores the efficiency of our model, not only in handling small datasets but also in effectively processing images close to their original scale.  ( 2 min )

The detection of automated accounts, also known as "social bots", has been an increasingly important concern for online social networks (OSNs). While several methods have been proposed for detecting social bots, significant research gaps remain. First, current models exhibit limitations in detecting sophisticated bots that aim to mimic genuine OSN users. Second, these methods often rely on simplistic profile features, which are susceptible to manipulation. In addition to their vulnerability to adversarial manipulations, these models lack generalizability, resulting in subpar performance when trained on one dataset and tested on another. To address these challenges, we propose a novel framework for social Bot detection with Self-Supervised Contrastive Learning (BotSSCL). Our framework leverages contrastive learning to distinguish between social bots and humans in the embedding space to improve linear separability. The high-level representations derived by BotSSCL enhance its resilience to variations in data distribution and ensure generalizability. We evaluate BotSSCL's robustness against adversarial attempts to manipulate bot accounts to evade detection. Experiments on two datasets featuring sophisticated bots demonstrate that BotSSCL outperforms other supervised, unsupervised, and self-supervised baseline methods. We achieve approx. 6% and approx. 8% higher (F1) performance than SOTA on both datasets. In addition, BotSSCL also achieves 67% F1 when trained on one dataset and tested with another, demonstrating its generalizability. Lastly, BotSSCL increases adversarial complexity and only allows 4% success to the adversary in evading detection.  ( 2 min )

Wearable sensors have permeated into people's lives, ushering impactful applications in interactive systems and activity recognition. However, practitioners face significant obstacles when dealing with sensing heterogeneities, requiring custom models for different platforms. In this paper, we conduct a comprehensive evaluation of the generalizability of motion models across sensor locations. Our analysis highlights this challenge and identifies key on-body locations for building location-invariant models that can be integrated on any device. For this, we introduce the largest multi-location activity dataset (N=50, 200 cumulative hours), which we make publicly available. We also present deployable on-device motion models reaching 91.41% frame-level F1-score from a single model irrespective of sensor placements. Lastly, we investigate cross-location data synthesis, aiming to alleviate the laborious data collection tasks by synthesizing data in one location given data from another. These contributions advance our vision of low-barrier, location-invariant activity recognition systems, catalyzing research in HCI and ubiquitous computing.  ( 2 min )

The Maximum s-Bundle Problem (MBP) addresses the task of identifying a maximum s-bundle in a given graph. A graph G=(V, E) is called an s-bundle if its vertex connectivity is at least |V|-s, where the vertex connectivity equals the minimum number of vertices whose deletion yields a disconnected or trivial graph. MBP is NP-hard and holds relevance in numerous realworld scenarios emphasizing the vertex connectivity. Exact algorithms for MBP mainly follow the branch-and-bound (BnB) framework, whose performance heavily depends on the quality of the upper bound on the cardinality of a maximum s-bundle and the initial lower bound with graph reduction. In this work, we introduce a novel Partition-based Upper Bound (PUB) that leverages the graph partitioning technique to achieve a tighter upper bound compared to existing ones. To increase the lower bound, we propose to do short random walks on a clique to generate larger initial solutions. Then, we propose a new BnB algorithm that uses the initial lower bound and PUB in preprocessing for graph reduction, and uses PUB in the BnB search process for branch pruning. Extensive experiments with diverse s values demonstrate the significant progress of our algorithm over state-of-the-art BnB MBP algorithms. Moreover, our initial lower bound can also be generalized to other relaxation clique problems.  ( 3 min )

Knowledge graphs (KGs) have garnered significant attention for their vast potential across diverse domains. However, the issue of outdated facts poses a challenge to KGs, affecting their overall quality as real-world information evolves. Existing solutions for outdated fact detection often rely on manual recognition. In response, this paper presents DEAN (Deep outdatEd fAct detectioN), a novel deep learning-based framework designed to identify outdated facts within KGs. DEAN distinguishes itself by capturing implicit structural information among facts through comprehensive modeling of both entities and relations. To effectively uncover latent out-of-date information, DEAN employs a contrastive approach based on a pre-defined Relations-to-Nodes (R2N) graph, weighted by the number of entities. Experimental results demonstrate the effectiveness and superiority of DEAN over state-of-the-art baseline methods.  ( 2 min )

This paper introduces a novel decision-making framework that promotes consistency among decisions made by diverse models while utilizing external knowledge. Leveraging the Integer Linear Programming (ILP) framework, we map predictions from various models into globally normalized and comparable values by incorporating information about decisions' prior probability, confidence (uncertainty), and the models' expected accuracy. Our empirical study demonstrates the superiority of our approach over conventional baselines on multiple datasets.  ( 2 min )

In this study, we consider the reliability assessment of anomaly detection (AD) using Variational Autoencoder (VAE). Over the last decade, VAE-based AD has been actively studied in various perspective, from method development to applied research. However, when the results of ADs are used in high-stakes decision-making, such as in medical diagnosis, it is necessary to ensure the reliability of the detected anomalies. In this study, we propose the VAE-AD Test as a method for quantifying the statistical reliability of VAE-based AD within the framework of statistical testing. Using the VAE-AD Test, the reliability of the anomaly regions detected by a VAE can be quantified in the form of p-values. This means that if an anomaly is declared when the p-value is below a certain threshold, it is possible to control the probability of false detection to a desired level. Since the VAE-AD Test is constructed based on a new statistical inference framework called selective inference, its validity is theoretically guaranteed in finite samples. To demonstrate the validity and effectiveness of the proposed VAE-AD Test, numerical experiments on artificial data and applications to brain image analysis are conducted.  ( 2 min )

Prescription contraceptives play a critical role in supporting women's reproductive health. With nearly 50 million women in the United States using contraceptives, understanding the factors that drive contraceptives selection and switching is of significant interest. However, many factors related to medication switching are often only captured in unstructured clinical notes and can be difficult to extract. Here, we evaluate the zero-shot abilities of a recently developed large language model, GPT-4 (via HIPAA-compliant Microsoft Azure API), to identify reasons for switching between classes of contraceptives from the UCSF Information Commons clinical notes dataset. We demonstrate that GPT-4 can accurately extract reasons for contraceptive switching, outperforming baseline BERT-based models with microF1 scores of 0.849 and 0.881 for contraceptive start and stop extraction, respectively. Human evaluation of GPT-4-extracted reasons for switching showed 91.4% accuracy, with minimal hallucinations. Using extracted reasons, we identified patient preference, adverse events, and insurance as key reasons for switching using unsupervised topic modeling approaches. Notably, we also showed using our approach that "weight gain/mood change" and "insurance coverage" are disproportionately found as reasons for contraceptive switching in specific demographic populations. Our code and supplemental data are available at https://github.com/BMiao10/contraceptive-switching.  ( 2 min )

Vertical Federated Learning (VFL) is a federated learning paradigm where multiple participants, who share the same set of samples but hold different features, jointly train machine learning models. Although VFL enables collaborative machine learning without sharing raw data, it is still susceptible to various privacy threats. In this paper, we conduct the first comprehensive survey of the state-of-the-art in privacy attacks and defenses in VFL. We provide taxonomies for both attacks and defenses, based on their characterizations, and discuss open challenges and future research directions. Specifically, our discussion is structured around the model's life cycle, by delving into the privacy threats encountered during different stages of machine learning and their corresponding countermeasures. This survey not only serves as a resource for the research community but also offers clear guidance and actionable insights for practitioners to safeguard data privacy throughout the model's life cycle.  ( 2 min )

Reward engineering has long been a challenge in Reinforcement Learning (RL) research, as it often requires extensive human effort and iterative processes of trial-and-error to design effective reward functions. In this paper, we propose RL-VLM-F, a method that automatically generates reward functions for agents to learn new tasks, using only a text description of the task goal and the agent's visual observations, by leveraging feedbacks from vision language foundation models (VLMs). The key to our approach is to query these models to give preferences over pairs of the agent's image observations based on the text description of the task goal, and then learn a reward function from the preference labels, rather than directly prompting these models to output a raw reward score, which can be noisy and inconsistent. We demonstrate that RL-VLM-F successfully produces effective rewards and policies across various domains - including classic control, as well as manipulation of rigid, articulated, and deformable objects - without the need for human supervision, outperforming prior methods that use large pretrained models for reward generation under the same assumptions.  ( 2 min )

Reinforcement Learning (RL) has made significant strides in enabling artificial agents to learn diverse behaviors. However, learning an effective policy often requires a large number of environment interactions. To mitigate sample complexity issues, recent approaches have used high-level task specifications, such as Linear Temporal Logic (LTL$_f$) formulas or Reward Machines (RM), to guide the learning progress of the agent. In this work, we propose a novel approach, called Logical Specifications-guided Dynamic Task Sampling (LSTS), that learns a set of RL policies to guide an agent from an initial state to a goal state based on a high-level task specification, while minimizing the number of environmental interactions. Unlike previous work, LSTS does not assume information about the environment dynamics or the Reward Machine, and dynamically samples promising tasks that lead to successful goal policies. We evaluate LSTS on a gridworld and show that it achieves improved time-to-threshold performance on complex sequential decision-making problems compared to state-of-the-art RM and Automaton-guided RL baselines, such as Q-Learning for Reward Machines and Compositional RL from logical Specifications (DIRL). Moreover, we demonstrate that our method outperforms RM and Automaton-guided RL baselines in terms of sample-efficiency, both in a partially observable robotic task and in a continuous control robotic manipulation task.  ( 2 min )

Protein-protein interactions (PPIs) are crucial in regulating numerous cellular functions, including signal transduction, transportation, and immune defense. As the accuracy of multi-chain protein complex structure prediction improves, the challenge has shifted towards effectively navigating the vast complex universe to identify potential PPIs. Herein, we propose PPIretrieval, the first deep learning-based model for protein-protein interaction exploration, which leverages existing PPI data to effectively search for potential PPIs in an embedding space, capturing rich geometric and chemical information of protein surfaces. When provided with an unseen query protein with its associated binding site, PPIretrieval effectively identifies a potential binding partner along with its corresponding binding site in an embedding space, facilitating the formation of protein-protein complexes.  ( 2 min )

Real-world networks, with their evolving relations, are best captured as temporal graphs. However, existing software libraries are largely designed for static graphs where the dynamic nature of temporal graphs is ignored. Bridging this gap, we introduce TGX, a Python package specially designed for analysis of temporal networks that encompasses an automated pipeline for data loading, data processing, and analysis of evolving graphs. TGX provides access to eleven built-in datasets and eight external Temporal Graph Benchmark (TGB) datasets as well as any novel datasets in the .csv format. Beyond data loading, TGX facilitates data processing functionalities such as discretization of temporal graphs and node subsampling to accelerate working with larger datasets. For comprehensive investigation, TGX offers network analysis by providing a diverse set of measures, including average node degree and the evolving number of nodes and edges per timestamp. Additionally, the package consolidates meaningful visualization plots indicating the evolution of temporal patterns, such as Temporal Edge Appearance (TEA) and Temporal Edge Trafficc (TET) plots. The TGX package is a robust tool for examining the features of temporal graphs and can be used in various areas like studying social networks, citation networks, and tracking user interactions. We plan to continuously support and update TGX based on community feedback. TGX is publicly available on: https://github.com/ComplexData-MILA/TGX.  ( 2 min )

This paper introduces a novel nonparametric framework for data imputation, coined multilinear kernel regression and imputation via the manifold assumption (MultiL-KRIM). Motivated by manifold learning, MultiL-KRIM models data features as a point cloud located in or close to a user-unknown smooth manifold embedded in a reproducing kernel Hilbert space. Unlike typical manifold-learning routes, which seek low-dimensional patterns via regularizers based on graph-Laplacian matrices, MultiL-KRIM builds instead on the intuitive concept of tangent spaces to manifolds and incorporates collaboration among point-cloud neighbors (regressors) directly into the data-modeling term of the loss function. Multiple kernel functions are allowed to offer robustness and rich approximation properties, while multiple matrix factors offer low-rank modeling, integrate dimensionality reduction, and streamline computations with no need of training data. Two important application domains showcase the functionality of MultiL-KRIM: time-varying-graph-signal (TVGS) recovery, and reconstruction of highly accelerated dynamic-magnetic-resonance-imaging (dMRI) data. Extensive numerical tests on real and synthetic data demonstrate MultiL-KRIM's remarkable speedups over its predecessors, and outperformance over prevalent "shallow" data-imputation techniques, with a more intuitive and explainable pipeline than deep-image-prior methods.  ( 2 min )

The Stanceosaurus corpus (Zheng et al., 2022) was designed to provide high-quality, annotated, 5-way stance data extracted from Twitter, suitable for analyzing cross-cultural and cross-lingual misinformation. In the Stanceosaurus 2.0 iteration, we extend this framework to encompass Russian and Spanish. The former is of current significance due to prevalent misinformation amid escalating tensions with the West and the violent incursion into Ukraine. The latter, meanwhile, represents an enormous community that has been largely overlooked on major social media platforms. By incorporating an additional 3,874 Spanish and Russian tweets over 41 misinformation claims, our objective is to support research focused on these issues. To demonstrate the value of this data, we employed zero-shot cross-lingual transfer on multilingual BERT, yielding results on par with the initial Stanceosaurus study with a macro F1 score of 43 for both languages. This underlines the viability of stance classification as an effective tool for identifying multicultural misinformation.  ( 2 min )

BLDC motor applications require precise position and speed measurements, traditionally obtained with sensors. This article presents a method for estimating those measurements without position sensors using terminal phase voltages with attenuated spurious, acquired with a FPGA that also operates a PWM-controlled inverter. Voltages are labelled with electrical and virtual rotor states using an encoder that provides training and testing data for two three-layer ANNs with perceptron-based cascade topology. The first ANN estimates the position from features of voltages with incremental timestamps, and the second ANN estimates the speed from features of position differentials considering timestamps in an acquisition window. Sensor-based training and sensorless testing at 125 to 1,500 rpm with a loaded 8-pole-pair motor obtained absolute errors of 0.8 electrical degrees and 22 rpm. Results conclude that the overall position estimation significantly improved conventional and advanced methods, and the speed estimation slightly improved conventional methods, but was worse than in advanced ones.  ( 2 min )

Knowledge graph embedding (KGE) models achieved state-of-the-art results on many knowledge graph tasks including link prediction and information retrieval. Despite the superior performance of KGE models in practice, we discover a deficiency in the expressiveness of some popular existing KGE models called \emph{Z-paradox}. Motivated by the existence of Z-paradox, we propose a new KGE model called \emph{MQuinE} that does not suffer from Z-paradox while preserves strong expressiveness to model various relation patterns including symmetric/asymmetric, inverse, 1-N/N-1/N-N, and composition relations with theoretical justification. Experiments on real-world knowledge bases indicate that Z-paradox indeed degrades the performance of existing KGE models, and can cause more than 20\% accuracy drop on some challenging test samples. Our experiments further demonstrate that MQuinE can mitigate the negative impact of Z-paradox and outperform existing KGE models by a visible margin on link prediction tasks.  ( 2 min )

Spatial prediction tasks are key to weather forecasting, studying air pollution, and other scientific endeavors. Determining how much to trust predictions made by statistical or physical methods is essential for the credibility of scientific conclusions. Unfortunately, classical approaches for validation fail to handle mismatch between locations available for validation and (test) locations where we want to make predictions. This mismatch is often not an instance of covariate shift (as commonly formalized) because the validation and test locations are fixed (e.g., on a grid or at select points) rather than i.i.d. from two distributions. In the present work, we formalize a check on validation methods: that they become arbitrarily accurate as validation data becomes arbitrarily dense. We show that classical and covariate-shift methods can fail this check. We instead propose a method that builds from existing ideas in the covariate-shift literature, but adapts them to the validation data at hand. We prove that our proposal passes our check. And we demonstrate its advantages empirically on simulated and real data.  ( 2 min )

Recent work has shown that large language models (LLMs) are capable of generating summaries zero-shot (i.e., without explicit supervision) that, under human assessment, are often comparable or even preferred to manually composed reference summaries. However, this prior work has focussed almost exclusively on evaluating news article summarization. How do zero-shot summarizers perform in other (potentially more specialized) domains? In this work we evaluate zero-shot generated summaries across specialized domains including biomedical articles, and legal bills (in addition to standard news benchmarks for reference). We focus especially on the factuality of outputs. We acquire annotations from domain experts to identify inconsistencies in summaries and systematically categorize these errors. We analyze whether the prevalence of a given domain in the pretraining corpus affects extractiveness and faithfulness of generated summaries of articles in this domain. We release all collected annotations to facilitate additional research toward measuring and realizing factually accurate summarization, beyond news articles. The dataset can be downloaded from https://github.com/sanjanaramprasad/zero_shot_faceval_domains  ( 2 min )

For half a century, artificial intelligence research has attempted to reproduce the human qualities of abstraction and reasoning - creating computer systems that can learn new concepts from a minimal set of examples, in settings where humans find this easy. While specific neural networks are able to solve an impressive range of problems, broad generalisation to situations outside their training data has proved elusive.In this work, we look at several novel approaches for solving the Abstraction & Reasoning Corpus (ARC), a dataset of abstract visual reasoning tasks introduced to test algorithms on broad generalization. Despite three international competitions with $100,000 in prizes, the best algorithms still fail to solve a majority of ARC tasks and rely on complex hand-crafted rules, without using machine learning at all. We revisit whether recent advances in neural networks allow progress on this task. First, we adapt the DreamCoder neurosymbolic reasoning solver to ARC. DreamCoder automatically writes programs in a bespoke domain-specific language to perform reasoning, using a neural network to mimic human intuition. We present the Perceptual Abstraction and Reasoning Language (PeARL) language, which allows DreamCoder to solve ARC tasks, and propose a new recognition model that allows us to significantly improve on the previous best implementation.We also propose a new encoding and augmentation scheme that allows large language models (LLMs) to solve ARC tasks, and find that the largest models can solve some ARC tasks. LLMs are able to solve a different group of problems to state-of-the-art solvers, and provide an interesting way to complement other approaches. We perform an ensemble analysis, combining models to achieve better results than any system alone. Finally, we publish the arckit Python library to make future research on ARC easier.  ( 3 min )

Attention-based architectures, in particular transformers, are at the heart of a technological revolution. Interestingly, in addition to helping obtain state-of-the-art results on a wide range of applications, the attention mechanism intrinsically provides meaningful insights on the internal behavior of the model. Can these insights be used as explanations? Debate rages on. In this paper, we mathematically study a simple attention-based architecture and pinpoint the differences between post-hoc and attention-based explanations. We show that they provide quite different results, and that, despite their limitations, post-hoc methods are capable of capturing more useful insights than merely examining the attention weights.  ( 2 min )

Modern recommender systems may output considerably different recommendations due to small perturbations in the training data. Changes in the data from a single user will alter the recommendations as well as the recommendations of other users. In applications like healthcare, housing, and finance, this sensitivity can have adverse effects on user experience. We propose a method to stabilize a given recommender system against such perturbations. This is a challenging task due to (1) the lack of a ``reference'' rank list that can be used to anchor the outputs; and (2) the computational challenges in ensuring the stability of rank lists with respect to all possible perturbations of training data. Our method, FINEST, overcomes these challenges by obtaining reference rank lists from a given recommendation model and then fine-tuning the model under simulated perturbation scenarios with rank-preserving regularization on sampled items. Our experiments on real-world datasets demonstrate that FINEST can ensure that recommender models output stable recommendations under a wide range of different perturbations without compromising next-item prediction accuracy.  ( 2 min )

Over the past few decades, many applications of physics-based simulations and data-driven techniques (including machine learning and deep learning) have emerged to analyze and predict solar flares. These approaches are pivotal in understanding the dynamics of solar flares, primarily aiming to forecast these events and minimize potential risks they may pose to Earth. Although current methods have made significant progress, there are still limitations to these data-driven approaches. One prominent drawback is the lack of consideration for the temporal evolution characteristics in the active regions from which these flares originate. This oversight hinders the ability of these methods to grasp the relationships between high-dimensional active region features, thereby limiting their usability in operations. This study centers on the development of interpretable classifiers for multivariate time series and the demonstration of a novel feature ranking method with sliding window-based sub-interval ranking. The primary contribution of our work is to bridge the gap between complex, less understandable black-box models used for high-dimensional data and the exploration of relevant sub-intervals from multivariate time series, specifically in the context of solar flare forecasting. Our findings demonstrate that our sliding-window time series forest classifier performs effectively in solar flare prediction (with a True Skill Statistic of over 85\%) while also pinpointing the most crucial features and sub-intervals for a given learning task.  ( 3 min )

In this work, we introduce a new deep learning approach based on diffusion posterior sampling (DPS) to perform material decomposition from spectral CT measurements. This approach combines sophisticated prior knowledge from unsupervised training with a rigorous physical model of the measurements. A faster and more stable variant is proposed that uses a jumpstarted process to reduce the number of time steps required in the reverse process and a gradient approximation to reduce the computational cost. Performance is investigated for two spectral CT systems: dual-kVp and dual-layer detector CT. On both systems, DPS achieves high Structure Similarity Index Metric Measure(SSIM) with only 10% of iterations as used in the model-based material decomposition(MBMD). Jumpstarted DPS (JSDPS) further reduces computational time by over 85% and achieves the highest accuracy, the lowest uncertainty, and the lowest computational costs compared to classic DPS and MBMD. The results demonstrate the potential of JSDPS for providing relatively fast and accurate material decomposition based on spectral CT data.  ( 2 min )

Variable importance plays a pivotal role in interpretable machine learning as it helps measure the impact of factors on the output of the prediction model. Model agnostic methods based on the generation of "null" features via permutation (or related approaches) can be applied. Such analysis is often utilized in pharmaceutical applications due to its ability to interpret black-box models, including tree-based ensembles. A major challenge and significant confounder in variable importance estimation however is the presence of between-feature correlation. Recently, several adjustments to marginal permutation utilizing feature knockoffs were proposed to address this issue, such as the variable importance measure known as conditional predictive impact (CPI). Assessment and evaluation of such approaches is the focus of our work. We first present a comprehensive simulation study investigating the impact of feature correlation on the assessment of variable importance. We then theoretically prove the limitation that highly correlated features pose for the CPI through the knockoff construction. While we expect that there is always no correlation between knockoff variables and its corresponding predictor variables, we prove that the correlation increases linearly beyond a certain correlation threshold between the predictor variables. Our findings emphasize the absence of free lunch when dealing with high feature correlation, as well as the necessity of understanding the utility and limitations behind methods in variable importance estimation.  ( 3 min )

We present a theoretical approach to overcome the curse of dimensionality using a neural computation algorithm which can be distributed across several machines. Our modular distributed deep learning paradigm, termed \textit{neural pathways}, can achieve arbitrary accuracy while only loading a small number of parameters into GPU VRAM. Formally, we prove that for every error level $\varepsilon>0$ and every Lipschitz function $f:[0,1]^n\to \mathbb{R}$, one can construct a neural pathways model which uniformly approximates $f$ to $\varepsilon$ accuracy over $[0,1]^n$ while only requiring networks of $\mathcal{O}(\varepsilon^{-1})$ parameters to be loaded in memory and $\mathcal{O}(\varepsilon^{-1}\log(\varepsilon^{-1}))$ to be loaded during the forward pass. This improves the optimal bounds for traditional non-distributed deep learning models, namely ReLU MLPs, which need $\mathcal{O}(\varepsilon^{-n/2})$ parameters to achieve the same accuracy. The only other available deep learning model that breaks the curse of dimensionality is MLPs with super-expressive activation functions. However, we demonstrate that these models have an infinite VC dimension, even with bounded depth and width restrictions, unlike the neural pathways model. This implies that only the latter generalizes. Our analysis is validated experimentally in both regression and classification tasks, demonstrating that our model exhibits superior performance compared to larger centralized benchmarks.  ( 2 min )

Dynamic 2-[18F] fluoro-2-deoxy-D-glucose positron emission tomography (dFDG-PET) for human brain imaging has considerable clinical potential, yet its utilization remains limited. A key challenge in the quantitative analysis of dFDG-PET is characterizing a patient-specific blood input function, traditionally reliant on invasive arterial blood sampling. This research introduces a novel approach employing non-invasive deep learning model-based computations from the internal carotid arteries (ICA) with partial volume (PV) corrections, thereby eliminating the need for invasive arterial sampling. We present an end-to-end pipeline incorporating a 3D U-Net based ICA-net for ICA segmentation, alongside a Recurrent Neural Network (RNN) based MCIF-net for the derivation of a model-corrected blood input function (MCIF) with PV corrections. The developed 3D U-Net and RNN was trained and validated using a 5-fold cross-validation approach on 50 human brain FDG PET datasets. The ICA-net achieved an average Dice score of 82.18% and an Intersection over Union of 68.54% across all tested scans. Furthermore, the MCIF-net exhibited a minimal root mean squared error of 0.0052. The application of this pipeline to ground truth data for dFDG-PET brain scans resulted in the precise localization of seizure onset regions, which contributed to a successful clinical outcome, with the patient achieving a seizure-free state after treatment. These results underscore the efficacy of the ICA-net and MCIF-net deep learning pipeline in learning the ICA structure's distribution and automating MCIF computation with PV corrections. This advancement marks a significant leap in non-invasive neuroimaging.  ( 3 min )

Generating 3D scenes is a challenging open problem, which requires synthesizing plausible content that is fully consistent in 3D space. While recent methods such as neural radiance fields excel at view synthesis and 3D reconstruction, they cannot synthesize plausible details in unobserved regions since they lack a generative capability. Conversely, existing generative methods are typically not capable of reconstructing detailed, large-scale scenes in the wild, as they use limited-capacity 3D scene representations, require aligned camera poses, or rely on additional regularizers. In this work, we introduce the first diffusion model able to perform fast, detailed reconstruction and generation of real-world 3D scenes. To achieve this, we make three contributions. First, we introduce a new neural scene representation, IB-planes, that can efficiently and accurately represent large 3D scenes, dynamically allocating more capacity as needed to capture details visible in each image. Second, we propose a denoising-diffusion framework to learn a prior over this novel 3D scene representation, using only 2D images without the need for any additional supervision signal such as masks or depths. This supports 3D reconstruction and generation in a unified architecture. Third, we develop a principled approach to avoid trivial 3D solutions when integrating the image-based rendering with the diffusion model, by dropping out representations of some images. We evaluate the model on several challenging datasets of real and synthetic images, and demonstrate superior results on generation, novel view synthesis and 3D reconstruction.  ( 2 min )

Large Language Models (LLMs) are one of the most promising technologies for the next era of speech generation systems, due to their scalability and in-context learning capabilities. Nevertheless, they suffer from multiple stability issues at inference time, such as hallucinations, content skipping or speech repetitions. In this work, we introduce a new self-supervised Voice Conversion (VC) architecture which can be used to learn to encode transitory features, such as content, separately from stationary ones, such as speaker ID or recording conditions, creating speaker-disentangled representations. Using speaker-disentangled codes to train LLMs for text-to-speech (TTS) allows the LLM to generate the content and the style of the speech only from the text, similarly to humans, while the speaker identity is provided by the decoder of the VC model. Results show that LLMs trained over speaker-disentangled self-supervised representations provide an improvement of 4.7pp in speaker similarity over SOTA entangled representations, and a word error rate (WER) 5.4pp lower. Furthermore, they achieve higher naturalness than human recordings of the LibriTTS test-other dataset. Finally, we show that using explicit reference embedding negatively impacts intelligibility (stability), with WER increasing by 14pp compared to the model that only uses text to infer the style.  ( 2 min )

Nonlinear hyperspectral unmixing has recently received considerable attention, as linear mixture models do not lead to an acceptable resolution in some problems. In fact, most nonlinear unmixing methods are designed by assuming specific assumptions on the nonlinearity model which subsequently limits the unmixing performance. In this paper, we propose an unsupervised nonlinear unmixing approach based on deep learning by incorporating a general nonlinear model with no special assumptions. This model consists of two branches. In the first branch, endmembers are learned by reconstructing the rows of hyperspectral images using some hidden layers, and in the second branch, abundance values are learned based on the columns of respective images. Then, using multi-task learning, we introduce an auxiliary task to enforce the two branches to work together. This technique can be considered as a regularizer mitigating overfitting, which improves the performance of the total network. Extensive experiments on synthetic and real data verify the effectiveness of the proposed method compared to some state-of-the-art hyperspectral unmixing methods.  ( 2 min )

The remarkable capability of large language models (LLMs) in generating high-quality code has drawn increasing attention in the software testing community. However, existing code LLMs often demonstrate unsatisfactory capabilities in generating accurate and complete tests since they were trained on code snippets collected without differentiating between code for testing purposes and other code. In this paper, we present a large-scale dataset UniTSyn, which is capable of enhancing the prowess of LLMs for Unit Test Synthesis. Associating tests with the tested functions is crucial for LLMs to infer the expected behavior and the logic paths to be verified. By leveraging Language Server Protocol, UniTSyn achieves the challenging goal of collecting focal-test pairs without per-project execution setups or per-language heuristics that tend to be fragile and difficult to scale. It contains 2.7 million focal-test pairs across five mainstream programming languages, making it possible to be utilized for enhancing the test generation ability of LLMs. The details of UniTSyn can be found in Table 1. Our experiments demonstrate that, by building an autoregressive model based on UniTSyn, we can achieve significant benefits in learning and understanding unit test representations, resulting in improved generation accuracy and code coverage across all evaluated programming languages. Code and data will be publicly available.  ( 3 min )

Users' behavioral footprints online enable firms to discover behavior-based user segments (or, segments) and deliver segment specific messages to users. Following the discovery of segments, delivery of messages to users through preferred media channels like Facebook and Google can be challenging, as only a portion of users in a behavior segment find match in a medium, and only a fraction of those matched actually see the message (exposure). Even high quality discovery becomes futile when delivery fails. Many sophisticated algorithms exist for discovering behavioral segments; however, these ignore the delivery component. The problem is compounded because (i) the discovery is performed on the behavior data space in firms' data (e.g., user clicks), while the delivery is predicated on the static data space (e.g., geo, age) as defined by media; and (ii) firms work under budget constraint. We introduce a stochastic optimization based algorithm for delivery optimized discovery of behavioral user segmentation and offer new metrics to address the joint optimization. We leverage optimization under a budget constraint for delivery combined with a learning-based component for discovery. Extensive experiments on a public dataset from Google and a proprietary dataset show the effectiveness of our approach by simultaneously improving delivery metrics, reducing budget spend and achieving strong predictive performance in discovery.  ( 2 min )

Graph generation is a fundamental problem in various domains, including chemistry and social networks. Recent work has shown that molecular graph generation using recurrent neural networks (RNNs) is advantageous compared to traditional generative approaches which require converting continuous latent representations into graphs. One issue which arises when treating graph generation as sequential generation is the arbitrary order of the sequence which results from a particular choice of graph flattening method. In this work we propose using RNNs, taking into account the non-sequential nature of graphs by adding an Orderless Regularization (OLR) term that encourages the hidden state of the recurrent model to be invariant to different valid orderings present under the training distribution. We demonstrate that sequential graph generation models benefit from our proposed regularization scheme, especially when data is scarce. Our findings contribute to the growing body of research on graph generation and provide a valuable tool for various applications requiring the synthesis of realistic and diverse graph structures.  ( 2 min )

Aim: To study the existence of subgroups by exploring the similarities between the attributes of the nodes of the groups, in relation to diet and gender and, to analyse the connectivity between groups based on aspects of similarities between them through SNA and artificial intelligence techniques. Methods: 235 students from 5 different educational centres participate in this study between March and December 2015. Data analysis carried out is divided into two blocks: social network analysis and unsupervised machine learning techniques. As for the social network analysis, the Girvan-Newman technique was applied to find the best number of cohesive groups within each of the friendship networks of the different classes analysed. Results: After applying Girvan-Newman in the three classes, the best division into clusters was respectively 2 for classroom A, 7 for classroom B and 6 for classroom C. There are significant differences between the groups and the gender and diet variables. After applying K-means using population diet as an input variable, a K-means clustering of 2 clusters for class A, 3 clusters for class B and 3 clusters for class C is obtained. Conclusion: Adolescents form subgroups within their classrooms. Subgroup cohesion is defined by the fact that nodes share similarities in aspects that influence obesity, they share attributes related to food quality and gender. The concept of homophily, related to SNA, justifies our results. Artificial intelligence techniques together with the application of the Girvan-Newman provide robustness to the structural analysis of similarities and cohesion between subgroups.  ( 3 min )

Glioblastoma is a highly malignant brain tumor with a life expectancy of only 3 to 6 months without treatment. Detecting and predicting its survival and grade accurately are crucial. This study introduces a novel approach using transfer learning techniques. Various pre-trained networks, including EfficientNet, ResNet, VGG16, and Inception, were tested through exhaustive optimization to identify the most suitable architecture. Transfer learning was applied to fine-tune these models on a glioblastoma image dataset, aiming to achieve two objectives: survival and tumor grade prediction.The experimental results show 65% accuracy in survival prediction, classifying patients into short, medium, or long survival categories. Additionally, the prediction of tumor grade achieved an accuracy of 97%, accurately differentiating low-grade gliomas (LGG) and high-grade gliomas (HGG). The success of the approach is attributed to the effectiveness of transfer learning, surpassing the current state-of-the-art methods. In conclusion, this study presents a promising method for predicting the survival and grade of glioblastoma. Transfer learning demonstrates its potential in enhancing prediction models, particularly in scenarios with limited large datasets. These findings hold promise for improving diagnostic and treatment approaches for glioblastoma patients.  ( 2 min )

Uplift modeling, vital in online marketing, seeks to accurately measure the impact of various strategies, such as coupons or discounts, on different users by predicting the Individual Treatment Effect (ITE). In an e-commerce setting, user behavior follows a defined sequential chain, including impression, click, and conversion. Marketing strategies exert varied uplift effects at each stage within this chain, impacting metrics like click-through and conversion rate. Despite its utility, existing research has neglected to consider the inter-task across all stages impacts within a specific treatment and has insufficiently utilized the treatment information, potentially introducing substantial bias into subsequent marketing decisions. We identify these two issues as the chain-bias problem and the treatment-unadaptive problem. This paper introduces the Entire Chain UPlift method with context-enhanced learning (ECUP), devised to tackle these issues. ECUP consists of two primary components: 1) the Entire Chain-Enhanced Network, which utilizes user behavior patterns to estimate ITE throughout the entire chain space, models the various impacts of treatments on each task, and integrates task prior information to enhance context awareness across all stages, capturing the impact of treatment on different tasks, and 2) the Treatment-Enhanced Network, which facilitates fine-grained treatment modeling through bit-level feature interactions, thereby enabling adaptive feature adjustment. Extensive experiments on public and industrial datasets validate ECUPs effectiveness. Moreover, ECUP has been deployed on the Meituan food delivery platform, serving millions of daily active users, with the related dataset released for future research.  ( 3 min )

Infineon has identified a need for engineers, account managers, and customers to rapidly obtain product information. This problem is traditionally addressed with retrieval-augmented generation (RAG) chatbots, but in this study, I evaluated the use of the newly popularized RAG-Fusion method. RAG-Fusion combines RAG and reciprocal rank fusion (RRF) by generating multiple queries, reranking them with reciprocal scores and fusing the documents and scores. Through manually evaluating answers on accuracy, relevance, and comprehensiveness, I found that RAG-Fusion was able to provide accurate and comprehensive answers due to the generated queries contextualizing the original query from various perspectives. However, some answers strayed off topic when the generated queries' relevance to the original query is insufficient. This research marks significant progress in artificial intelligence (AI) and natural language processing (NLP) applications and demonstrates transformations in a global and multi-industry context.  ( 2 min )

This study examined the use of voice recognition technology in perioperative services (Periop) to enable Periop staff to record workflow milestones using mobile technology. The use of mobile technology to improve patient flow and quality of care could be facilitated if such voice recognition technology could be made robust. The goal of this experiment was to allow the Periop staff to provide care without being interrupted with data entry and querying tasks. However, the results are generalizable to other situations where an engineering manager attempts to improve communication performance using mobile technology. This study enhanced Google's voice recognition capability by using post-processing classifiers (i.e., bag-of-sentences, support vector machine, and maximum entropy). The experiments investigated three factors (original phrasing, reduced phrasing, and personalized phrasing) at three levels (zero training repetition, 5 training repetitions, and 10 training repetitions). Results indicated that personal phrasing yielded the highest correctness and that training the device to recognize an individual's voice improved correctness as well. Although simplistic, the bag-of-sentences classifier significantly improved voice recognition correctness. The classification efficiency of the maximum entropy and support vector machine algorithms was found to be nearly identical. These results suggest that engineering managers could significantly enhance Google's voice recognition technology by using post-processing techniques, which would facilitate its use in health care and other applications.  ( 3 min )

Providing explanations within the recommendation system would boost user satisfaction and foster trust, especially by elaborating on the reasons for selecting recommended items tailored to the user. The predominant approach in this domain revolves around generating text-based explanations, with a notable emphasis on applying large language models (LLMs). However, refining LLMs for explainable recommendations proves impractical due to time constraints and computing resource limitations. As an alternative, the current approach involves training the prompt rather than the LLM. In this study, we developed a model that utilizes the ID vectors of user and item inputs as prompts for GPT-2. We employed a joint training mechanism within a multi-task learning framework to optimize both the recommendation task and explanation task. This strategy enables a more effective exploration of users' interests, improving recommendation effectiveness and user satisfaction. Through the experiments, our method achieving 1.59 DIV, 0.57 USR and 0.41 FCR on the Yelp, TripAdvisor and Amazon dataset respectively, demonstrates superior performance over four SOTA methods in terms of explainability evaluation metric. In addition, we identified that the proposed model is able to ensure stable textual quality on the three public datasets.  ( 2 min )

In recent years, graph neural networks (GNNs) have become a popular tool to improve the accuracy and performance of recommender systems. Modern recommender systems are not only designed to serve the end users, but also to benefit other participants, such as items and items providers. These participants may have different or conflicting goals and interests, which raise the need for fairness and popularity bias considerations. GNN-based recommendation methods also face the challenges of unfairness and popularity bias and their normalization and aggregation processes suffer from these challenges. In this paper, we propose a fair GNN-based recommender system, called HetroFair, to improve items' side fairness. HetroFair uses two separate components to generate fairness-aware embeddings: i) fairness-aware attention which incorporates dot product in the normalization process of GNNs, to decrease the effect of nodes' degrees, and ii) heterophily feature weighting to assign distinct weights to different features during the aggregation process. In order to evaluate the effectiveness of HetroFair, we conduct extensive experiments over six real-world datasets. Our experimental results reveal that HetroFair not only alleviates the unfairness and popularity bias on the items' side, but also achieves superior accuracy on the users' side. Our implementation is publicly available at https://github.com/NematGH/HetroFair  ( 2 min )

This paper presents a novel approach at the intersection of machine learning and number theory, focusing on the classification of prime and non-prime numbers. At the core of our research is the development of a highly sparse encoding method, integrated with conventional neural network architectures. This combination has shown promising results, achieving a recall of over 99\% in identifying prime numbers and 79\% for non-prime numbers from an inherently imbalanced sequential series of integers, while exhibiting rapid model convergence before the completion of a single training epoch. We performed training using $10^6$ integers starting from a specified integer and tested on a different range of $2 \times 10^6$ integers extending from $10^6$ to $3 \times 10^6$, offset by the same starting integer. While constrained by the memory capacity of our resources, which limited our analysis to a span of $3\times10^6$, we believe that our study contribute to the application of machine learning in prime number analysis. This work aims to demonstrate the potential of such applications and hopes to inspire further exploration and possibilities in diverse fields.  ( 2 min )

Many real-world datasets can be naturally represented as graphs, spanning a wide range of domains. However, the increasing complexity and size of graph datasets present significant challenges for analysis and computation. In response, graph reduction techniques have gained prominence for simplifying large graphs while preserving essential properties. In this survey, we aim to provide a comprehensive understanding of graph reduction methods, including graph sparsification, graph coarsening, and graph condensation. Specifically, we establish a unified definition for these methods and introduce a hierarchical taxonomy to categorize the challenges they address. Our survey then systematically reviews the technical details of these methods and emphasizes their practical applications across diverse scenarios. Furthermore, we outline critical research directions to ensure the continued effectiveness of graph reduction techniques, as well as provide a comprehensive paper list at https://github.com/ChandlerBang/awesome-graph-reduction. We hope this survey will bridge literature gaps and propel the advancement of this promising field.  ( 2 min )

This study investigates the relationship between tweet sentiment across diverse categories: news, company opinions, CEO opinions, competitor opinions, and stock market behavior in the biotechnology sector, with a focus on understanding the impact of social media discourse on investor sentiment and decision-making processes. We analyzed historical stock market data for ten of the largest and most influential pharmaceutical companies alongside Twitter data related to COVID-19, vaccines, the companies, and their respective CEOs. Using VADER sentiment analysis, we examined the sentiment scores of tweets and assessed their relationships with stock market performance. We employed ARIMA (AutoRegressive Integrated Moving Average) and VAR (Vector AutoRegression) models to forecast stock market performance, incorporating sentiment covariates to improve predictions. Our findings revealed a complex interplay between tweet sentiment, news, biotech companies, their CEOs, and stock market performance, emphasizing the importance of considering diverse factors when modeling and predicting stock prices. This study provides valuable insights into the influence of social media on the financial sector and lays a foundation for future research aimed at refining stock price prediction models.  ( 3 min )

This study aims to minimize the influence of fake news on social networks by deploying debunkers to propagate true news. This is framed as a reinforcement learning problem, where, at each stage, one user is selected to propagate true news. A challenging issue is episodic reward where the "net" effect of selecting individual debunkers cannot be discerned from the interleaving information propagation on social networks, and only the collective effect from mitigation efforts can be observed. Existing Self-Imitation Learning (SIL) methods have shown promise in learning from episodic rewards, but are ill-suited to the real-world application of fake news mitigation because of their poor sample efficiency. To learn a more effective debunker selection policy for fake news mitigation, this study proposes NAGASIL - Negative sampling and state Augmented Generative Adversarial Self-Imitation Learning, which consists of two improvements geared towards fake news mitigation: learning from negative samples, and an augmented state representation to capture the "real" environment state by integrating the current observed state with the previous state-action pairs from the same campaign. Experiments on two social networks show that NAGASIL yields superior performance to standard GASIL and state-of-the-art fake news mitigation models.  ( 2 min )

In this paper, we study zeroth-order algorithms for nonconvex minimax problems with coupled linear constraints under the deterministic and stochastic settings, which have attracted wide attention in machine learning, signal processing and many other fields in recent years, e.g., adversarial attacks in resource allocation problems and network flow problems etc. We propose two single-loop algorithms, namely the zero-order primal-dual alternating projected gradient (ZO-PDAPG) algorithm and the zero-order regularized momentum primal-dual projected gradient algorithm (ZO-RMPDPG), for solving deterministic and stochastic nonconvex-(strongly) concave minimax problems with coupled linear constraints. The iteration complexity of the two proposed algorithms to obtain an $\varepsilon$-stationary point are proved to be $\mathcal{O}(\varepsilon ^{-2})$ (resp. $\mathcal{O}(\varepsilon ^{-4})$) for solving nonconvex-strongly concave (resp. nonconvex-concave) minimax problems with coupled linear constraints under deterministic settings and $\tilde{\mathcal{O}}(\varepsilon ^{-3})$ (resp. $\tilde{\mathcal{O}}(\varepsilon ^{-6.5})$) under stochastic settings respectively. To the best of our knowledge, they are the first two zeroth-order algorithms with iterative complexity guarantees for solving nonconvex-(strongly) concave minimax problems with coupled linear constraints under the deterministic and stochastic settings.  ( 2 min )

Generative Artificial Intelligence (GAI) represents an emerging field that promises the creation of synthetic data and outputs in different modalities. GAI has recently shown impressive results across a large spectrum of applications ranging from biology, medicine, education, legislation, computer science, and finance. As one strives for enhanced safety, efficiency, and sustainability, generative AI indeed emerges as a key differentiator and promises a paradigm shift in the field. This paper explores the potential applications of generative AI and large language models in geoscience. The recent developments in the field of machine learning and deep learning have enabled the generative model's utility for tackling diverse prediction problems, simulation, and multi-criteria decision-making challenges related to geoscience and Earth system dynamics. This survey discusses several GAI models that have been used in geoscience comprising generative adversarial networks (GANs), physics-informed neural networks (PINNs), and generative pre-trained transformer (GPT)-based structures. These tools have helped the geoscience community in several applications, including (but not limited to) data generation/augmentation, super-resolution, panchromatic sharpening, haze removal, restoration, and land surface changing. Some challenges still remain such as ensuring physical interpretation, nefarious use cases, and trustworthiness. Beyond that, GAI models show promises to the geoscience community, especially with the support to climate change, urban science, atmospheric science, marine science, and planetary science through their extraordinary ability to data-driven modeling and uncertainty quantification.  ( 3 min )

In upcoming 6G networks, unmanned aerial vehicles (UAVs) are expected to play a fundamental role by acting as mobile base stations, particularly for demanding vehicle-to-everything (V2X) applications. In this scenario, one of the most challenging problems is the design of trajectories for multiple UAVs, cooperatively serving the same area. Such joint trajectory design can be performed using multi-agent deep reinforcement learning (MADRL) algorithms, but ensuring collision-free paths among UAVs becomes a critical challenge. Traditional methods involve imposing high penalties during training to discourage unsafe conditions, but these can be proven to be ineffective, whereas binary masks can be used to restrict unsafe actions, but naively applying them to all agents can lead to suboptimal solutions and inefficiencies. To address these issues, we propose a rank-based binary masking approach. Higher-ranked UAVs move optimally, while lower-ranked UAVs use this information to define improved binary masks, reducing the number of unsafe actions. This approach allows to obtain a good trade-off between exploration and exploitation, resulting in enhanced training performance, while maintaining safety constraints.  ( 2 min )

This paper introduces a novel domain adaptation technique for time series data, called Mixing model Stiefel Adaptation (MSA), specifically addressing the challenge of limited labeled signals in the target dataset. Leveraging a domain-dependent mixing model and the optimal transport domain adaptation assumption, we exploit abundant unlabeled data in the target domain to ensure effective prediction by establishing pairwise correspondence with equivalent signal variances between domains. Theoretical foundations are laid for identifying crucial Stiefel matrices, essential for recovering underlying signal variances from a Riemannian representation of observed signal covariances. We propose an integrated cost function that simultaneously learns these matrices, pairwise domain relationships, and a predictor, classifier, or regressor, depending on the task. Applied to neuroscience problems, MSA outperforms recent methods in brain-age regression with task variations using magnetoencephalography (MEG) signals from the Cam-CAN dataset.  ( 2 min )

In prior methods, it was observed that the application of Convolutional Neural Networks agent in Deep Reinforcement Learning to financial data resulted in an enhanced reward. In this study, a specific permutation was applied to the feature vector, thereby generating a CNN matrix that strategically positions more pertinent features in close proximity. Our comprehensive experimental evaluations unequivocally demonstrate a substantial enhancement in reward attainment.  ( 2 min )

This work focuses on the main challenges and problems in developing a virtual oceanic environment reproducing real experiments using Unmanned Surface Vehicles (USV) digital twins. We introduce the key features for building virtual worlds, considering using Reinforcement Learning (RL) agents for autonomous navigation and control. With this in mind, the main problems concern the definition of the simulation equations (physics and mathematics), their effective implementation, and how to include strategies for simulated control and perception (sensors) to be used with RL. We present the modeling, implementation steps, and challenges required to create a functional digital twin based on a real robotic sailing vessel. The application is immediate for developing navigation algorithms based on RL to be applied on real boats.  ( 2 min )

The ability to perceive and reason about individual objects and their interactions is a goal to be achieved for building intelligent artificial systems. State-of-the-art approaches use a feedforward encoder to extract object embeddings and a latent graph neural network to model the interaction between these object embeddings. However, the feedforward encoder can not extract {\it object-centric} representations, nor can it disentangle multiple objects with similar appearance. To solve these issues, we introduce {\it Slot Structured World Models} (SSWM), a class of world models that combines an {\it object-centric} encoder (based on Slot Attention) with a latent graph-based dynamics model. We evaluate our method in the Spriteworld benchmark with simple rules of physical interaction, where Slot Structured World Models consistently outperform baselines on a range of (multi-step) prediction tasks with action-conditional object interactions. All code to reproduce paper experiments is available from \url{https://github.com/JonathanCollu/Slot-Structured-World-Models}.  ( 2 min )

This paper answers a fundamental question in artificial neural network (ANN) design: We do not need to build ANNs layer-by-layer sequentially to guarantee the Directed Acyclic Graph (DAG) property. Drawing inspiration from biological intelligence (BI), where neurons form a complex, graph-structured network, we introduce the groundbreaking Cyclic Neural Networks (Cyclic NNs). It emulates the flexible and dynamic graph nature of biological neural systems, allowing neuron connections in any graph-like structure, including cycles. This offers greater adaptability compared to the DAG structure of current ANNs. We further develop the Graph Over Multi-layer Perceptron, which is the first detailed model based on this new design paradigm. Experimental validation of the Cyclic NN's advantages on widely tested datasets in most generalized cases, demonstrating its superiority over current BP training methods through the use of a forward-forward (FF) training algorithm. This research illustrates a totally new ANN design paradigm, which is a significant departure from current ANN designs, potentially leading to more biologically plausible AI systems.  ( 2 min )

Models trained on a labeled source domain (e.g., labeled images from wildlife camera traps) often generalize poorly when deployed on an out-of-distribution (OOD) target domain (e.g., images from new camera trap locations). In the domain adaptation setting where unlabeled target data is available, self-supervised pretraining (e.g., masked autoencoding or contrastive learning) is a promising method to mitigate this performance drop. Pretraining improves OOD error when the generic data augmentations used (e.g., masking or cropping) connect the source and target domains, which may be far apart in the input space. In this paper, we show on real-world tasks that standard fine-tuning after pretraining does not consistently improve OOD error over simply training from scratch on labeled source data. To better leverage pretraining for distribution shifts, we propose Connect Later: after pretraining with generic augmentations, fine-tune with targeted augmentations designed with knowledge of the distribution shift. Pretraining learns good representations within the source and target domains, while targeted augmentations connect the domains better during fine-tuning. Connect Later improves average OOD error over standard fine-tuning and supervised learning with targeted augmentations on 4 real-world datasets: Connect Later achieves the state-of-the-art on astronomical time-series classification (AstroClassification) by 2.5%, wildlife species identification (iWildCam-WILDS) with ResNet-50 by 0.9%, and tumor identification (Camelyon17-WILDS) with DenseNet121 by 1.1%; as well as best performance on a new dataset for astronomical time-series redshift prediction (Redshifts) by 0.03 RMSE (11% relative). Code and datasets are available at https://github.com/helenqu/connect-later.  ( 2 min )

Vision Transformers (ViTs) have gained prominence as a preferred choice for a wide range of computer vision tasks due to their exceptional performance. However, their widespread adoption has raised concerns about security in the face of malicious attacks. Most existing methods rely on empirical adjustments during the training process, lacking a clear theoretical foundation. In this study, we address this gap by introducing SpecFormer, specifically designed to enhance ViTs' resilience against adversarial attacks, with support from carefully derived theoretical guarantees. We establish local Lipschitz bounds for the self-attention layer and introduce a novel approach, Maximum Singular Value Penalization (MSVP), to attain precise control over these bounds. We seamlessly integrate MSVP into ViTs' attention layers, using the power iteration method for enhanced computational efficiency. The modified model, SpecFormer, effectively reduces the spectral norms of attention weight matrices, thereby enhancing network local Lipschitzness. This, in turn, leads to improved training efficiency and robustness. Extensive experiments on CIFAR and ImageNet datasets confirm SpecFormer's superior performance in defending against adversarial attacks.  ( 2 min )

State-space models (SSMs), such as Mamba Gu & Dao (2034), have been proposed as alternatives to Transformer networks in language modeling, by incorporating gating, convolutions, and input-dependent token selection to mitigate the quadratic cost of multi-head attention. Although SSMs exhibit competitive performance, their in-context learning (ICL) capabilities, a remarkable emergent property of modern language models that enables task execution without parameter optimization, remain underexplored compared to Transformers. In this study, we evaluate the ICL performance of SSMs, focusing on Mamba, against Transformer models across various tasks. Our results show that SSMs perform comparably to Transformers in standard regression ICL tasks, while outperforming them in tasks like sparse parity learning. However, SSMs fall short in tasks involving non-standard retrieval functionality. To address these limitations, we introduce a hybrid model, \variant, that combines Mamba with attention blocks, surpassing individual models in tasks where they struggle independently. Our findings suggest that hybrid architectures offer promising avenues for enhancing ICL in language models.  ( 2 min )

Automated red teaming holds substantial promise for uncovering and mitigating the risks associated with the malicious use of large language models (LLMs), yet the field lacks a standardized evaluation framework to rigorously assess new methods. To address this issue, we introduce HarmBench, a standardized evaluation framework for automated red teaming. We identify several desirable properties previously unaccounted for in red teaming evaluations and systematically design HarmBench to meet these criteria. Using HarmBench, we conduct a large-scale comparison of 18 red teaming methods and 33 target LLMs and defenses, yielding novel insights. We also introduce a highly efficient adversarial training method that greatly enhances LLM robustness across a wide range of attacks, demonstrating how HarmBench enables codevelopment of attacks and defenses. We open source HarmBench at https://github.com/centerforaisafety/HarmBench.  ( 2 min )

The Transformer architecture has shown to be a powerful tool for a wide range of tasks. It is based on the self-attention mechanism, which is an inherently computationally expensive operation with quadratic computational complexity: memory usage and compute time increase quadratically with the length of the input sequences, thus limiting the application of Transformers. In this work, we propose a novel Clustering self-Attention mechanism using Surrogate Tokens (CAST), to optimize the attention computation and achieve efficient transformers. CAST utilizes learnable surrogate tokens to construct a cluster affinity matrix, used to cluster the input sequence and generate novel cluster summaries. The self-attention from within each cluster is then combined with the cluster summaries of other clusters, enabling information flow across the entire input sequence. CAST improves efficiency by reducing the complexity from $O(N^2)$ to $O(\alpha N)$ where N is the sequence length, and {\alpha} is constant according to the number of clusters and samples per cluster. We show that CAST performs better than or comparable to the baseline Transformers on long-range sequence modeling tasks, while also achieving higher results on time and memory efficiency than other efficient transformers.  ( 2 min )

We propose MusicRL, the first music generation system finetuned from human feedback. Appreciation of text-to-music models is particularly subjective since the concept of musicality as well as the specific intention behind a caption are user-dependent (e.g. a caption such as "upbeat work-out music" can map to a retro guitar solo or a techno pop beat). Not only this makes supervised training of such models challenging, but it also calls for integrating continuous human feedback in their post-deployment finetuning. MusicRL is a pretrained autoregressive MusicLM (Agostinelli et al., 2023) model of discrete audio tokens finetuned with reinforcement learning to maximise sequence-level rewards. We design reward functions related specifically to text-adherence and audio quality with the help from selected raters, and use those to finetune MusicLM into MusicRL-R. We deploy MusicLM to users and collect a substantial dataset comprising 300,000 pairwise preferences. Using Reinforcement Learning from Human Feedback (RLHF), we train MusicRL-U, the first text-to-music model that incorporates human feedback at scale. Human evaluations show that both MusicRL-R and MusicRL-U are preferred to the baseline. Ultimately, MusicRL-RU combines the two approaches and results in the best model according to human raters. Ablation studies shed light on the musical attributes influencing human preferences, indicating that text adherence and quality only account for a part of it. This underscores the prevalence of subjectivity in musical appreciation and calls for further involvement of human listeners in the finetuning of music generation models.  ( 3 min )

Background: Acute kidney injury (AKI), the decline of kidney excretory function, occurs in up to 18% of hospitalized admissions. Progression of AKI may lead to irreversible kidney damage. Methods: This retrospective cohort study includes adult patients admitted to a non-intensive care unit at the University of Pittsburgh Medical Center (UPMC) (n = 46,815) and University of Florida Health (UFH) (n = 127,202). We developed and compared deep learning and conventional machine learning models to predict progression to Stage 2 or higher AKI within the next 48 hours. We trained local models for each site (UFH Model trained on UFH, UPMC Model trained on UPMC) and a separate model with a development cohort of patients from both sites (UFH-UPMC Model). We internally and externally validated the models on each site and performed subgroup analyses across sex and race. Results: Stage 2 or higher AKI occurred in 3% (n=3,257) and 8% (n=2,296) of UFH and UPMC patients, respectively. Area under the receiver operating curve values (AUROC) for the UFH test cohort ranged between 0.77 (UPMC Model) and 0.81 (UFH Model), while AUROC values ranged between 0.79 (UFH Model) and 0.83 (UPMC Model) for the UPMC test cohort. UFH-UPMC Model achieved an AUROC of 0.81 (95% confidence interval [CI] [0.80, 0.83]) for UFH and 0.82 (95% CI [0.81,0.84]) for UPMC test cohorts; an area under the precision recall curve values (AUPRC) of 0.6 (95% CI, [0.05, 0.06]) for UFH and 0.13 (95% CI, [0.11,0.15]) for UPMC test cohorts. Kinetic estimated glomerular filtration rate, nephrotoxic drug burden and blood urea nitrogen remained the top three features with the highest influence across the models and health centers. Conclusion: Locally developed models displayed marginally reduced discrimination when tested on another institution, while the top set of influencing features remained the same across the models and sites.  ( 3 min )

Shapley values have emerged as a foundational tool in machine learning (ML) for elucidating model decision-making processes. Despite their widespread adoption and unique ability to satisfy essential explainability axioms, computational challenges persist in their estimation when ($i$) evaluating a model over all possible subset of input feature combinations, ($ii$) estimating model marginals, and ($iii$) addressing variability in explanations. We introduce a novel, self-explaining method that simplifies the computation of Shapley values significantly, requiring only a single forward pass. Recognizing the deterministic treatment of Shapley values as a limitation, we explore incorporating a probabilistic framework to capture the inherent uncertainty in explanations. Unlike alternatives, our technique does not rely directly on the observed data space to estimate marginals; instead, it uses adaptable baseline values derived from a latent, feature-specific embedding space, generated by a novel masked neural network architecture. Evaluations on simulated and real datasets underscore our technique's robust predictive and explanatory performance.  ( 2 min )

In this paper, we consider a decentralized learning problem in the presence of stragglers. Although gradient coding techniques have been developed for distributed learning to evade stragglers, where the devices send encoded gradients with redundant training data, it is difficult to apply those techniques directly to decentralized learning scenarios. To deal with this problem, we propose a new gossip-based decentralized learning method with gradient coding (GOCO). In the proposed method, to avoid the negative impact of stragglers, the parameter vectors are updated locally using encoded gradients based on the framework of stochastic gradient coding and then averaged in a gossip-based manner. We analyze the convergence performance of GOCO for strongly convex loss functions. And we also provide simulation results to demonstrate the superiority of the proposed method in terms of learning performance compared with the baseline methods.  ( 2 min )

Reinforcement learning algorithms need exploration to learn. However, unsupervised exploration prevents the deployment of such algorithms on safety-critical tasks and limits real-world deployment. In this paper, we propose a new algorithm called Ensemble Model Predictive Safety Certification that combines model-based deep reinforcement learning with tube-based model predictive control to correct the actions taken by a learning agent, keeping safety constraint violations at a minimum through planning. Our approach aims to reduce the amount of prior knowledge about the actual system by requiring only offline data generated by a safe controller. Our results show that we can achieve significantly fewer constraint violations than comparable reinforcement learning methods.  ( 2 min )

Most mathematical distortions used in ML are fundamentally integral in nature: $f$-divergences, Bregman divergences, (regularized) optimal transport distances, integral probability metrics, geodesic distances, etc. In this paper, we unveil a grounded theory and tools which can help improve these distortions to better cope with ML requirements. We start with a generalization of Riemann integration that also encapsulates functions that are not strictly additive but are, more generally, $t$-additive, as in nonextensive statistical mechanics. Notably, this recovers Volterra's product integral as a special case. We then generalize the Fundamental Theorem of calculus using an extension of the (Euclidean) derivative. This, along with a series of more specific Theorems, serves as a basis for results showing how one can specifically design, alter, or change fundamental properties of distortion measures in a simple way, with a special emphasis on geometric- and ML-related properties that are the metricity, hyperbolicity, and encoding. We show how to apply it to a problem that has recently gained traction in ML: hyperbolic embeddings with a "cheap" and accurate encoding along the hyperbolic vs Euclidean scale. We unveil a new application for which the Poincar\'e disk model has very appealing features, and our theory comes in handy: \textit{model} embeddings for boosted combinations of decision trees, trained using the log-loss (trees) and logistic loss (combinations).  ( 3 min )

Reinforcement Learning is a highly active research field with promising advancements. In the field of autonomous driving, however, often very simple scenarios are being examined. Common approaches use non-interpretable control commands as the action space and unstructured reward designs which lack structure. In this work, we introduce Informed Reinforcement Learning, where a structured rulebook is integrated as a knowledge source. We learn trajectories and asses them with a situation-aware reward design, leading to a dynamic reward which allows the agent to learn situations which require controlled traffic rule exceptions. Our method is applicable to arbitrary RL models. We successfully demonstrate high completion rates of complex scenarios with recent model-based agents.  ( 2 min )

In recent years, attention-based transformers have achieved tremendous success across a variety of disciplines including natural languages. A key ingredient behind their success is the generative pretraining procedure, during which these models are trained on a large text corpus in an auto-regressive manner. To shed light on this phenomenon, we propose a new framework that allows both theory and systematic experiments to study the sequential modeling capabilities of transformers through the lens of Markov chains. Inspired by the Markovianity of natural languages, we model the data as a Markovian source and utilize this framework to systematically study the interplay between the data-distributional properties, the transformer architecture, the learnt distribution, and the final model performance. In particular, we theoretically characterize the loss landscape of single-layer transformers and show the existence of global minima and bad local minima contingent upon the specific data characteristics and the transformer architecture. Backed by experiments, we demonstrate that our theoretical findings are in congruence with the empirical results. We further investigate these findings in the broader context of higher order Markov chains and deeper architectures, and outline open problems in this arena. Code is available at \url{https://github.com/Bond1995/Markov}.  ( 2 min )

Recent works have shown that by using large pre-trained models along with learnable prompts, rehearsal-free methods for class-incremental learning (CIL) settings can achieve superior performance to prominent rehearsal-based ones. Rehearsal-free CIL methods struggle with distinguishing classes from different tasks, as those are not trained together. In this work we propose a regularization method based on virtual outliers to tighten decision boundaries of the classifier, such that confusion of classes among different tasks is mitigated. Recent prompt-based methods often require a pool of task-specific prompts, in order to prevent overwriting knowledge of previous tasks with that of the new task, leading to extra computation in querying and composing an appropriate prompt from the pool. This additional cost can be eliminated, without sacrificing accuracy, as we reveal in the paper. We illustrate that a simplified prompt-based method can achieve results comparable to previous state-of-the-art (SOTA) methods equipped with a prompt pool, using much less learnable parameters and lower inference cost. Our regularization method has demonstrated its compatibility with different prompt-based methods, boosting those previous SOTA rehearsal-free CIL methods' accuracy on the ImageNet-R and CIFAR-100 benchmarks. Our source code is available at https://github.com/jpmorganchase/ovor.  ( 2 min )

EU directives stipulate a systematic follow-up of train delays. In Sweden, the Swedish Transport Administration registers and assigns an appropriate delay attribution code. However, this delay attribution code is assigned manually, which is a complex task. In this paper, a machine learning-based decision support for assigning delay attribution codes based on event descriptions is investigated. The text is transformed using TF-IDF, and two models, Random Forest and Support Vector Machine, are evaluated against a random uniform classifier and the classification performance of the Swedish Transport Administration. Further, the problem is modeled as both a hierarchical and flat approach. The results indicate that a hierarchical approach performs better than a flat approach. Both approaches perform better than the random uniform classifier but perform worse than the manual classification.  ( 2 min )

Efficient molecular modeling and design are crucial for the discovery and exploration of novel molecules, and the incorporation of deep learning methods has revolutionized this field. In particular, large language models (LLMs) offer a fresh approach to tackle scientific problems from a natural language processing (NLP) perspective, introducing a research paradigm called scientific language modeling (SLM). However, two key issues remain: how to quantify the match between model and data modalities and how to identify the knowledge-learning preferences of models. To address these challenges, we propose a multi-modal benchmark, named ChEBI-20-MM, and perform 1263 experiments to assess the model's compatibility with data modalities and knowledge acquisition. Through the modal transition probability matrix, we provide insights into the most suitable modalities for tasks. Furthermore, we introduce a statistically interpretable approach to discover context-specific knowledge mapping by localized feature filtering. Our pioneering analysis offers an exploration of the learning mechanism and paves the way for advancing SLM in molecular science.  ( 2 min )

Recently, peoples awareness of online purchases has significantly risen. This has given rise to online retail platforms and the need for a better understanding of customer purchasing behaviour. Retail companies are pressed with the need to deal with a high volume of customer purchases, which requires sophisticated approaches to perform more accurate and efficient customer segmentation. Customer segmentation is a marketing analytical tool that aids customer-centric service and thus enhances profitability. In this paper, we aim to develop a customer segmentation model to improve decision-making processes in the retail market industry. To achieve this, we employed a UK-based online retail dataset obtained from the UCI machine learning repository. The retail dataset consists of 541,909 customer records and eight features. Our study adopted the RFM (recency, frequency, and monetary) framework to quantify customer values. Thereafter, we compared several state-of-the-art (SOTA) clustering algorithms, namely, K-means clustering, the Gaussian mixture model (GMM), density-based spatial clustering of applications with noise (DBSCAN), agglomerative clustering, and balanced iterative reducing and clustering using hierarchies (BIRCH). The results showed the GMM outperformed other approaches, with a Silhouette Score of 0.80.  ( 2 min )

The multi-head attention layer is one of the key components of the transformer architecture that sets it apart from traditional feed-forward models. Given a sequence length $k$, attention matrices $\mathbf{\Theta}_1,\ldots,\mathbf{\Theta}_m\in\mathbb{R}^{d\times d}$, and projection matrices $\mathbf{W}_1,\ldots,\mathbf{W}_m\in\mathbb{R}^{d\times d}$, the corresponding multi-head attention layer $F: \mathbb{R}^{k\times d}\to \mathbb{R}^{k\times d}$ transforms length-$k$ sequences of $d$-dimensional tokens $\mathbf{X}\in\mathbb{R}^{k\times d}$ via $F(\mathbf{X}) \triangleq \sum^m_{i=1} \mathrm{softmax}(\mathbf{X}\mathbf{\Theta}_i\mathbf{X}^\top)\mathbf{X}\mathbf{W}_i$. In this work, we initiate the study of provably learning a multi-head attention layer from random examples and give the first nontrivial upper and lower bounds for this problem: - Provided $\{\mathbf{W}_i, \mathbf{\Theta}_i\}$ satisfy certain non-degeneracy conditions, we give a $(dk)^{O(m^3)}$-time algorithm that learns $F$ to small error given random labeled examples drawn uniformly from $\{\pm 1\}^{k\times d}$. - We prove computational lower bounds showing that in the worst case, exponential dependence on $m$ is unavoidable. We focus on Boolean $\mathbf{X}$ to mimic the discrete nature of tokens in large language models, though our techniques naturally extend to standard continuous settings, e.g. Gaussian. Our algorithm, which is centered around using examples to sculpt a convex body containing the unknown parameters, is a significant departure from existing provable algorithms for learning feedforward networks, which predominantly exploit algebraic and rotation invariance properties of the Gaussian distribution. In contrast, our analysis is more flexible as it primarily relies on various upper and lower tail bounds for the input distribution and "slices" thereof.  ( 2 min )

Learning in deep weight spaces (DWS), where neural networks process the weights of other neural networks, is an emerging research direction, with applications to 2D and 3D neural fields (INRs, NeRFs), as well as making inferences about other types of neural networks. Unfortunately, weight space models tend to suffer from substantial overfitting. We empirically analyze the reasons for this overfitting and find that a key reason is the lack of diversity in DWS datasets. While a given object can be represented by many different weight configurations, typical INR training sets fail to capture variability across INRs that represent the same object. To address this, we explore strategies for data augmentation in weight spaces and propose a MixUp method adapted for weight spaces. We demonstrate the effectiveness of these methods in two setups. In classification, they improve performance similarly to having up to 10 times more data. In self-supervised contrastive learning, they yield substantial 5-10% gains in downstream classification.  ( 2 min )

An accurate prediction of house prices is a fundamental requirement for various sectors including real estate and mortgage lending. It is widely recognized that a property value is not solely determined by its physical attributes but is significantly influenced by its surrounding neighbourhood. Meeting the diverse housing needs of individuals while balancing budget constraints is a primary concern for real estate developers. To this end, we addressed the house price prediction problem as a regression task and thus employed various machine learning techniques capable of expressing the significance of independent variables. We made use of the housing dataset of Ames City in Iowa, USA to compare support vector regressor, random forest regressor, XGBoost, multilayer perceptron and multiple linear regression algorithms for house price prediction. Afterwards, we identified the key factors that influence housing costs. Our results show that XGBoost is the best performing model for house price prediction.  ( 2 min )

This paper presents advanced techniques of training diffusion policies for offline reinforcement learning (RL). At the core is a mean-reverting stochastic differential equation (SDE) that transfers a complex action distribution into a standard Gaussian and then samples actions conditioned on the environment state with a corresponding reverse-time SDE, like a typical diffusion policy. We show that such an SDE has a solution that we can use to calculate the log probability of the policy, yielding an entropy regularizer that improves the exploration of offline datasets. To mitigate the impact of inaccurate value functions from out-of-distribution data points, we further propose to learn the lower confidence bound of Q-ensembles for more robust policy improvement. By combining the entropy-regularized diffusion policy with Q-ensembles in offline RL, our method achieves state-of-the-art performance on most tasks in D4RL benchmarks. Code is available at \href{https://github.com/ruoqizzz/Entropy-Regularized-Diffusion-Policy-with-QEnsemble}{https://github.com/ruoqizzz/Entropy-Regularized-Diffusion-Policy-with-QEnsemble}.  ( 2 min )

Machine learning models, particularly language models, are notoriously difficult to introspect. Black-box models can mask both issues in model training and harmful biases. For human-in-the-loop processes, opaque predictions can drive lack of trust, limiting a model's impact even when it performs effectively. To address these issues, we introduce Retrieve to Explain (R2E). R2E is a retrieval-based language model that prioritizes amongst a pre-defined set of possible answers to a research question based on the evidence in a document corpus, using Shapley values to identify the relative importance of pieces of evidence to the final prediction. R2E can adapt to new evidence without retraining, and incorporate structured data through templating into natural language. We assess on the use case of drug target identification from published scientific literature, where we show that the model outperforms an industry-standard genetics-based approach on predicting clinical trial outcomes.  ( 2 min )

The ubiquitous missing values cause the multivariate time series data to be partially observed, destroying the integrity of time series and hindering the effective time series data analysis. Recently deep learning imputation methods have demonstrated remarkable success in elevating the quality of corrupted time series data, subsequently enhancing performance in downstream tasks. In this paper, we conduct a comprehensive survey on the recently proposed deep learning imputation methods. First, we propose a taxonomy for the reviewed methods, and then provide a structured review of these methods by highlighting their strengths and limitations. We also conduct empirical experiments to study different methods and compare their enhancement for downstream tasks. Finally, the open issues for future research on multivariate time series imputation are pointed out. All code and configurations of this work, including a regularly maintained multivariate time series imputation paper list, can be found in the GitHub repository~\url{https://github.com/WenjieDu/Awesome\_Imputation}.  ( 2 min )

Link prediction with knowledge graphs has been thoroughly studied in graph machine learning, leading to a rich landscape of graph neural network architectures with successful applications. Nonetheless, it remains challenging to transfer the success of these architectures to link prediction with relational hypergraphs. The presence of relational hyperedges makes link prediction a task between $k$ nodes for varying choices of $k$, which is substantially harder than link prediction with knowledge graphs, where every relation is binary ($k=2$). In this paper, we propose two frameworks for link prediction with relational hypergraphs and conduct a thorough analysis of the expressive power of the resulting model architectures via corresponding relational Weisfeiler-Leman algorithms, and also via some natural logical formalisms. Through extensive empirical analysis, we validate the power of the proposed model architectures on various relational hypergraph benchmarks. The resulting model architectures substantially outperform every baseline for inductive link prediction, and lead to state-of-the-art results for transductive link prediction. Our study therefore unlocks applications of graph neural networks to fully relational structures.  ( 2 min )

Recently, Ainsworth et al. showed that using weight matching (WM) to minimize the $L_2$ distance in a permutation search of model parameters effectively identifies permutations that satisfy linear mode connectivity (LMC), in which the loss along a linear path between two independently trained models with different seeds remains nearly constant. This paper provides a theoretical analysis of LMC using WM, which is crucial for understanding stochastic gradient descent's effectiveness and its application in areas like model merging. We first experimentally and theoretically show that permutations found by WM do not significantly reduce the $L_2$ distance between two models and the occurrence of LMC is not merely due to distance reduction by WM in itself. We then provide theoretical insights showing that permutations can change the directions of the singular vectors, but not the singular values, of the weight matrices in each layer. This finding shows that permutations found by WM mainly align the directions of singular vectors associated with large singular values across models. This alignment brings the singular vectors with large singular values, which determine the model functionality, closer between pre-merged and post-merged models, so that the post-merged model retains functionality similar to the pre-merged models, making it easy to satisfy LMC. Finally, we analyze the difference between WM and straight-through estimator (STE), a dataset-dependent permutation search method, and show that WM outperforms STE, especially when merging three or more models.  ( 2 min )

We introduce a new framework for studying meta-learning methods using PAC-Bayesian theory. Its main advantage over previous work is that it allows for more flexibility in how the transfer of knowledge between tasks is realized. For previous approaches, this could only happen indirectly, by means of learning prior distributions over models. In contrast, the new generalization bounds that we prove express the process of meta-learning much more directly as learning the learning algorithm that should be used for future tasks. The flexibility of our framework makes it suitable to analyze a wide range of meta-learning mechanisms and even design new mechanisms. Other than our theoretical contributions we also show empirically that our framework improves the prediction quality in practical meta-learning mechanisms.  ( 2 min )

Graph representation learning (GRL) is critical for extracting insights from complex network structures, but it also raises security concerns due to potential privacy vulnerabilities in these representations. This paper investigates the structural vulnerabilities in graph neural models where sensitive topological information can be inferred through edge reconstruction attacks. Our research primarily addresses the theoretical underpinnings of cosine-similarity-based edge reconstruction attacks (COSERA), providing theoretical and empirical evidence that such attacks can perfectly reconstruct sparse Erdos Renyi graphs with independent random features as graph size increases. Conversely, we establish that sparsity is a critical factor for COSERA's effectiveness, as demonstrated through analysis and experiments on stochastic block models. Finally, we explore the resilience of (provably) private graph representations produced via noisy aggregation (NAG) mechanism against COSERA. We empirically delineate instances wherein COSERA demonstrates both efficacy and deficiency in its capacity to function as an instrument for elucidating the trade-off between privacy and utility.  ( 2 min )

With the emergence of pretrained vision-language models (VLMs), considerable efforts have been devoted to fine-tuning them for downstream tasks. Despite the progress made in designing efficient fine-tuning methods, such methods require access to the model's parameters, which can be challenging as model owners often opt to provide their models as a black box to safeguard model ownership. This paper proposes a \textbf{C}ollabo\textbf{ra}tive \textbf{F}ine-\textbf{T}uning (\textbf{CraFT}) approach for fine-tuning black-box VLMs to downstream tasks, where one only has access to the input prompts and the output predictions of the model. CraFT comprises two modules, a prompt generation module for learning text prompts and a prediction refinement module for enhancing output predictions in residual style. Additionally, we introduce an auxiliary prediction-consistent loss to promote consistent optimization across these modules. These modules are optimized by a novel collaborative training algorithm. Extensive experiments on few-shot classification over 15 datasets demonstrate the superiority of CraFT. The results show that CraFT achieves a decent gain of about 12\% with 16-shot datasets and only 8,000 queries. Moreover, CraFT trains faster and uses only about 1/80 of the memory footprint for deployment, while sacrificing only 1.62\% compared to the white-box method.  ( 2 min )

Density Functional Theory (DFT) accurately predicts the quantum chemical properties of molecules, but scales as $O(N_{\text{electrons}}^3)$. Sch\"utt et al. (2019) successfully approximate DFT 1000x faster with Neural Networks (NN). Arguably, the biggest problem one faces when scaling to larger molecules is the cost of DFT labels. For example, it took years to create the PCQ dataset (Nakata & Shimazaki, 2017) on which subsequent NNs are trained within a week. DFT labels molecules by minimizing energy $E(\cdot )$ as a "loss function." We bypass dataset creation by directly training NNs with $E(\cdot )$ as a loss function. For comparison, Sch\"utt et al. (2019) spent 626 hours creating a dataset on which they trained their NN for 160h, for a total of 786h; our method achieves comparable performance within 31h.  ( 2 min )

Deep equilibrium (DEQ) models are widely recognized as a memory efficient alternative to standard neural networks, achieving state-of-the-art performance in language modeling and computer vision tasks. These models solve a fixed point equation instead of explicitly computing the output, which sets them apart from standard neural networks. However, existing DEQ models often lack formal guarantees of the existence and uniqueness of the fixed point, and the convergence of the numerical scheme used for computing the fixed point is not formally established. As a result, DEQ models are potentially unstable in practice. To address these drawbacks, we introduce a novel class of DEQ models called positive concave deep equilibrium (pcDEQ) models. Our approach, which is based on nonlinear Perron-Frobenius theory, enforces nonnegative weights and activation functions that are concave on the positive orthant. By imposing these constraints, we can easily ensure the existence and uniqueness of the fixed point without relying on additional complex assumptions commonly found in the DEQ literature, such as those based on monotone operator theory in convex analysis. Furthermore, the fixed point can be computed with the standard fixed point algorithm, and we provide theoretical guarantees of geometric convergence, which, in particular, simplifies the training process. Experiments demonstrate the competitiveness of our pcDEQ models against other implicit models.  ( 2 min )

Availability attacks can prevent the unauthorized use of private data and commercial datasets by generating imperceptible noise and making unlearnable examples before release. Ideally, the obtained unlearnability prevents algorithms from training usable models. When supervised learning (SL) algorithms have failed, a malicious data collector possibly resorts to contrastive learning (CL) algorithms to bypass the protection. Through evaluation, we have found that most of the existing methods are unable to achieve both supervised and contrastive unlearnability, which poses risks to data protection. Different from recent methods based on contrastive error minimization, we employ contrastive-like data augmentations in supervised error minimization or maximization frameworks to obtain attacks effective for both SL and CL. Our proposed AUE and AAP attacks achieve state-of-the-art worst-case unlearnability across SL and CL algorithms with less computation consumption, showcasing prospects in real-world applications.  ( 2 min )

Truck transportation remains the dominant mode of US freight transportation because of its advantages, such as the flexibility of accessing pickup and drop-off points and faster delivery. Because of the massive freight volume transported by trucks, understanding the effects of population and employment characteristics on truck flows is critical for better transportation planning and investment decisions. The US Federal Highway Administration published a truck travel origin-destination data set as part of the Next Generation National Household Travel Survey program. This data set contains the total number of truck trips in 2020 within and between 583 predefined zones encompassing metropolitan and nonmetropolitan statistical areas within each state and Washington, DC. In this study, origin-destination-level truck trip flow data was augmented to include zone-level population and employment characteristics from the US Census Bureau. Census population and County Business Patterns data were included. The final data set was used to train a machine learning algorithm-based model, Extreme Gradient Boosting (XGBoost), where the target variable is the number of total truck trips. Shapley Additive ExPlanation (SHAP) was adopted to explain the model results. Results showed that the distance between the zones was the most important variable and had a nonlinear relationship with truck flows.  ( 3 min )

As machine learning becomes more prominent there is a growing demand to perform several inference tasks in parallel. Running a dedicated model for each task is computationally expensive and therefore there is a great interest in multi-task learning (MTL). MTL aims at learning a single model that solves several tasks efficiently. Optimizing MTL models is often achieved by computing a single gradient per task and aggregating them for obtaining a combined update direction. However, these approaches do not consider an important aspect, the sensitivity in the gradient dimensions. Here, we introduce a novel gradient aggregation approach using Bayesian inference. We place a probability distribution over the task-specific parameters, which in turn induce a distribution over the gradients of the tasks. This additional valuable information allows us to quantify the uncertainty in each of the gradients dimensions, which can then be factored in when aggregating them. We empirically demonstrate the benefits of our approach in a variety of datasets, achieving state-of-the-art performance.  ( 2 min )

During both pretraining and fine-tuning, Large Language Models (\textbf{LLMs}) are trained on trillions of tokens of text of widely varying quality. Both phases of training typically involve heuristically filtering out ``low-quality'' or \textit{noisy} training samples, yet little is known quantitatively about how the type or intensity of noise affects downstream performance. In this work, we study how noise in chain of thought (\textbf{CoT}) impacts task performance in the highly-controlled setting of algorithmically solvable tasks. First, we develop the Traced Integer (\textbf{TInt}) framework to generate highly customizable noised execution traces for any arithmetic function on lists of integers. We then define two types of noise: \textit{static} noise, a local form of noise which is applied after the CoT trace is computed, and \textit{dynamic} noise, a global form of noise which propagates errors in the trace as it is computed. We then evaluate the test performance of pretrained models both prompted and fine-tuned on noised datasets with varying levels of dataset contamination and intensity. We find fine-tuned models are extremely robust to high levels of static noise but struggle significantly more with lower levels of dynamic noise. In contrast, few-shot prompted models appear more sensitive to even static noise. We conclude with a discussion of how our findings impact noise filtering best-practices, in particular emphasizing the importance of removing samples containing destructive dynamic noise with global errors.  ( 3 min )

Crystals are the foundation of numerous scientific and industrial applications. While various learning-based approaches have been proposed for crystal generation, existing methods seldom consider the space group constraint which is crucial in describing the geometry of crystals and closely relevant to many desirable properties. However, considering space group constraint is challenging owing to its diverse and nontrivial forms. In this paper, we reduce the space group constraint into an equivalent formulation that is more tractable to be handcrafted into the generation process. In particular, we translate the space group constraint into two parts: the basis constraint of the invariant logarithmic space of the lattice matrix and the Wyckoff position constraint of the fractional coordinates. Upon the derived constraints, we then propose DiffCSP++, a novel diffusion model that has enhanced a previous work DiffCSP by further taking space group constraint into account. Experiments on several popular datasets verify the benefit of the involvement of the space group constraint, and show that our DiffCSP++ achieves promising performance on crystal structure prediction, ab initio crystal generation and controllable generation with customized space groups.  ( 2 min )

Random projections or sketches of gradients and Hessian vector products play an essential role in applications where one needs to store many such vectors while retaining accurate information about their relative geometry. Two important scenarios are training data attribution (tracing a model's behavior to the training data), where one needs to store a gradient for each training example, and the study of the spectrum of the Hessian (to analyze the training dynamics), where one needs to store multiple Hessian vector products. While sketches that use dense matrices are easy to implement, they are memory bound and cannot be scaled to modern neural networks. Motivated by work on the intrinsic dimension of neural networks, we propose and study a design space for scalable sketching algorithms. We demonstrate the efficacy of our approach in three applications: training data attribution, the analysis of the Hessian spectrum and the computation of the intrinsic dimension when fine-tuning pre-trained language models.  ( 2 min )

Recent work in deep learning has shown strong empirical and theoretical evidence of an implicit low-rank bias: weight matrices in deep networks tend to be approximately low-rank and removing relatively small singular values during training or from available trained models may significantly reduce model size while maintaining or even improving model performance. However, the majority of the theoretical investigations around low-rank bias in neural networks deal with oversimplified deep linear networks. In this work, we consider general networks with nonlinear activations and the weight decay parameter, and we show the presence of an intriguing neural rank collapse phenomenon, connecting the low-rank bias of trained networks with networks' neural collapse properties: as the weight decay parameter grows, the rank of each layer in the network decreases proportionally to the within-class variability of the hidden-space embeddings of the previous layers. Our theoretical findings are supported by a range of experimental evaluations illustrating the phenomenon.  ( 2 min )

Recent studies have highlighted the benefits of generating multiple synthetic datasets for supervised learning, from increased accuracy to more effective model selection and uncertainty estimation. These benefits have clear empirical support, but the theoretical understanding of them is currently very light. We seek to increase the theoretical understanding by deriving bias-variance decompositions for several settings of using multiple synthetic datasets. Our theory predicts multiple synthetic datasets to be especially beneficial for high-variance downstream predictors, and yields a simple rule of thumb to select the appropriate number of synthetic datasets in the case of mean-squared error and Brier score. We investigate how our theory works in practice by evaluating the performance of an ensemble over many synthetic datasets for several real datasets and downstream predictors. The results follow our theory, showing that our insights are also practically relevant.  ( 2 min )

Deep Learning has revolutionized the field of AI and led to remarkable achievements in applications involving image and text data. Unfortunately, there is inconclusive evidence on the merits of neural networks for structured tabular data. In this paper, we introduce a large-scale empirical study comparing neural networks against gradient-boosted decision trees on tabular data, but also transformer-based architectures against traditional multi-layer perceptrons (MLP) with residual connections. In contrast to prior work, our empirical findings indicate that neural networks are competitive against decision trees. Furthermore, we assess that transformer-based architectures do not outperform simpler variants of traditional MLP architectures on tabular datasets. As a result, this paper helps the research and practitioner communities make informed choices on deploying neural networks on future tabular data applications.  ( 2 min )

Label smoothing loss is a widely adopted technique to mitigate overfitting in deep neural networks. This paper studies label smoothing from the perspective of Neural Collapse (NC), a powerful empirical and theoretical framework which characterizes model behavior during the terminal phase of training. We first show empirically that models trained with label smoothing converge faster to neural collapse solutions and attain a stronger level of neural collapse. Additionally, we show that at the same level of NC1, models under label smoothing loss exhibit intensified NC2. These findings provide valuable insights into the performance benefits and enhanced model calibration under label smoothing loss. We then leverage the unconstrained feature model to derive closed-form solutions for the global minimizers for both loss functions and further demonstrate that models under label smoothing have a lower conditioning number and, therefore, theoretically converge faster. Our study, combining empirical evidence and theoretical results, not only provides nuanced insights into the differences between label smoothing and cross-entropy losses, but also serves as an example of how the powerful neural collapse framework can be used to improve our understanding of DNNs.  ( 2 min )

We study the in-context learning dynamics of large language models (LLMs) using three instrumental learning tasks adapted from cognitive psychology. We find that LLMs update their beliefs in an asymmetric manner and learn more from better-than-expected outcomes than from worse-than-expected ones. Furthermore, we show that this effect reverses when learning about counterfactual feedback and disappears when no agency is implied. We corroborate these findings by investigating idealized in-context learning agents derived through meta-reinforcement learning, where we observe similar patterns. Taken together, our results contribute to our understanding of how in-context learning works by highlighting that the framing of a problem significantly influences how learning occurs, a phenomenon also observed in human cognition.  ( 2 min )

We revisit the classical result of Morris et al.~(AAAI'19) that message-passing graphs neural networks (MPNNs) are equal in their distinguishing power to the Weisfeiler--Leman (WL) isomorphism test. Morris et al.~show their simulation result with ReLU activation function and $O(n)$-dimensional feature vectors, where $n$ is the number of nodes of the graph. Recently, by introducing randomness into the architecture, Aamand et al.~(NeurIPS'22) were able to improve this bound to $O(\log n)$-dimensional feature vectors, although at the expense of guaranteeing perfect simulation only with high probability. In all these constructions, to guarantee equivalence to the WL test, the dimension of feature vectors in the MPNN has to increase with the size of the graphs. However, architectures used in practice have feature vectors of constant dimension. Thus, there is a gap between the guarantees provided by these results and the actual characteristics of architectures used in practice. In this paper we close this gap by showing that, for \emph{any} non-polynomial analytic (like the sigmoid) activation function, to guarantee that MPNNs are equivalent to the WL test, feature vectors of dimension $d=1$ is all we need, independently of the size of the graphs. Our main technical insight is that for simulating multi-sets in the WL-test, it is enough to use linear independence of feature vectors over rationals instead of reals. Countability of the set of rationals together with nice properties of analytic functions allow us to carry out the simulation invariant over the iterations of the WL test without increasing the dimension of the feature vectors.  ( 3 min )

Traditional approaches in offline reinforcement learning aim to learn the optimal policy that maximizes the cumulative reward, also known as return. However, as applications broaden, it becomes increasingly crucial to train agents that not only maximize the returns, but align the actual return with a specified target return, giving control over the agent's performance. Decision Transformer (DT) optimizes a policy that generates actions conditioned on the target return through supervised learning and is equipped with a mechanism to control the agent using the target return. Despite being designed to align the actual return with the target return, we have empirically identified a discrepancy between the actual return and the target return in DT. In this paper, we propose Return-Aligned Decision Transformer (RADT), designed to effectively align the actual return with the target return. Our model decouples returns from the conventional input sequence, which typically consists of returns, states, and actions, to enhance the relationships between returns and states, as well as returns and actions. Extensive experiments show that RADT reduces the discrepancies between the actual return and the target return of DT-based methods.  ( 2 min )

Science originates with discovering new causal knowledge from a combination of known facts and observations. Traditional causal discovery approaches mainly rely on high-quality measured variables, usually given by human experts, to find causal relations. However, the causal variables are usually unavailable in a wide range of real-world applications. The rise of large language models (LLMs) that are trained to learn rich knowledge from the massive observations of the world, provides a new opportunity to assist with discovering high-level hidden variables from the raw observational data. Therefore, we introduce COAT: Causal representatiOn AssistanT. COAT incorporates LLMs as a factor proposer that extracts the potential causal factors from unstructured data. Moreover, LLMs can also be instructed to provide additional information used to collect data values (e.g., annotation criteria) and to further parse the raw unstructured data into structured data. The annotated data will be fed to a causal learning module (e.g., the FCI algorithm) that provides both rigorous explanations of the data, as well as useful feedback to further improve the extraction of causal factors by LLMs. We verify the effectiveness of COAT in uncovering the underlying causal system with two case studies of review rating analysis and neuropathic diagnosis.  ( 2 min )

Online controlled experiments are a crucial tool to allow for confident decision-making in technology companies. A North Star metric is defined (such as long-term revenue or user retention), and system variants that statistically significantly improve on this metric in an A/B-test can be considered superior. North Star metrics are typically delayed and insensitive. As a result, the cost of experimentation is high: experiments need to run for a long time, and even then, type-II errors (i.e. false negatives) are prevalent. We propose to tackle this by learning metrics from short-term signals that directly maximise the statistical power they harness with respect to the North Star. We show that existing approaches are prone to overfitting, in that higher average metric sensitivity does not imply improved type-II errors, and propose to instead minimise the $p$-values a metric would have produced on a log of past experiments. We collect such datasets from two social media applications with over 160 million Monthly Active Users each, totalling over 153 A/B-pairs. Empirical results show that we are able to increase statistical power by up to 78% when using our learnt metrics stand-alone, and by up to 210% when used in tandem with the North Star. Alternatively, we can obtain constant statistical power at a sample size that is down to 12% of what the North Star requires, significantly reducing the cost of experimentation.  ( 2 min )

Bayesian optimization (BO) is a powerful approach for optimizing complex and expensive-to-evaluate black-box functions. Its importance is underscored in many applications, notably including hyperparameter tuning, but its efficacy depends on efficiently balancing exploration and exploitation. While there has been substantial progress in BO methods, striking this balance still remains a delicate process. In this light, we present \texttt{LLAMBO}, a novel approach that integrates the capabilities of large language models (LLM) within BO. At a high level, we frame the BO problem in natural language terms, enabling LLMs to iteratively propose promising solutions conditioned on historical evaluations. More specifically, we explore how combining contextual understanding, few-shot learning proficiency, and domain knowledge of LLMs can enhance various components of model-based BO. Our findings illustrate that \texttt{LLAMBO} is effective at zero-shot warmstarting, and improves surrogate modeling and candidate sampling, especially in the early stages of search when observations are sparse. Our approach is performed in context and does not require LLM finetuning. Additionally, it is modular by design, allowing individual components to be integrated into existing BO frameworks, or function cohesively as an end-to-end method. We empirically validate \texttt{LLAMBO}'s efficacy on the problem of hyperparameter tuning, highlighting strong empirical performance across a range of diverse benchmarks, proprietary, and synthetic tasks.  ( 2 min )

Multistep returns, such as $n$-step returns and $\lambda$-returns, are commonly used to improve the sample efficiency of reinforcement learning (RL) methods. The variance of the multistep returns becomes the limiting factor in their length; looking too far into the future increases variance and reverses the benefits of multistep learning. In our work, we demonstrate the ability of compound returns -- weighted averages of $n$-step returns -- to reduce variance. We prove for the first time that any compound return with the same contraction modulus as a given $n$-step return has strictly lower variance. We additionally prove that this variance-reduction property improves the finite-sample complexity of temporal-difference learning under linear function approximation. Because general compound returns can be expensive to implement, we introduce two-bootstrap returns which reduce variance while remaining efficient, even when using minibatched experience replay. We conduct experiments showing that two-bootstrap returns can improve the sample efficiency of $n$-step deep RL agents, with little additional computational cost.  ( 2 min )

Employee's knowledge is an organization asset. Turnover may impose apparent and hidden costs and irreparable damages. To overcome and mitigate this risk, employee's condition should be monitored. Due to high complexity of analyzing well-being features, employee's turnover predicting can be delegated to machine learning techniques. In this paper, we discuss employee's attrition rate. Three different supervised learning algorithms comprising AdaBoost, SVM and RandomForest are used to benchmark employee attrition accuracy. Attained models can help out at establishing predictive analytics.  ( 2 min )

We investigate how a dot-product attention layer learns a positional attention matrix (with tokens attending to each other based on their respective positions) and a semantic attention matrix (with tokens attending to each other based on their meaning). For an algorithmic task, we experimentally show how the same simple architecture can learn to implement a solution using either the positional or semantic mechanism. On the theoretical side, we study the learning of a non-linear self-attention layer with trainable tied and low-rank query and key matrices. In the asymptotic limit of high-dimensional data and a comparably large number of training samples, we provide a closed-form characterization of the global minimum of the non-convex empirical loss landscape. We show that this minimum corresponds to either a positional or a semantic mechanism and evidence an emergent phase transition from the former to the latter with increasing sample complexity. Finally, we compare the dot-product attention layer to linear positional baseline, and show that it outperforms the latter using the semantic mechanism provided it has access to sufficient data.  ( 2 min )

We introduce MOMENT, a family of open-source foundation models for general-purpose time-series analysis. Pre-training large models on time-series data is challenging due to (1) the absence of a large and cohesive public time-series repository, and (2) diverse time-series characteristics which make multi-dataset training onerous. Additionally, (3) experimental benchmarks to evaluate these models, especially in scenarios with limited resources, time, and supervision, are still in their nascent stages. To address these challenges, we compile a large and diverse collection of public time-series, called the Time-series Pile, and systematically tackle time-series-specific challenges to unlock large-scale multi-dataset pre-training. Finally, we build on recent work to design a benchmark to evaluate time-series foundation models on diverse tasks and datasets in limited supervision settings. Experiments on this benchmark demonstrate the effectiveness of our pre-trained models with minimal data and task-specific fine-tuning. Finally, we present several interesting empirical observations about large pre-trained time-series models. Our code is available anonymously at anonymous.4open.science/r/BETT-773F/.  ( 2 min )

Mechanistic interpretability (MI) aims to understand AI models by reverse-engineering the exact algorithms neural networks learn. Most works in MI so far have studied behaviors and capabilities that are trivial and token-aligned. However, most capabilities are not that trivial, which advocates for the study of hidden representations inside these networks as the unit of analysis. We do a literature review, formalize representations for features and behaviors, highlight their importance and evaluation, and perform some basic exploration in the mechanistic interpretability of representations. With discussion and exploratory results, we justify our position that studying representations is an important and under-studied field, and that currently established methods in MI are not sufficient to understand representations, thus pushing for the research community to work toward new frameworks for studying representations.  ( 2 min )

The Neural Tangent Kernel (NTK) viewpoint represents a valuable approach to examine the training dynamics of Physics-Informed Neural Networks (PINNs) in the infinite width limit. We leverage this perspective and focus on the case of nonlinear Partial Differential Equations (PDEs) solved by PINNs. We provide theoretical results on the different behaviors of the NTK depending on the linearity of the differential operator. Moreover, inspired by our theoretical results, we emphasize the advantage of employing second-order methods for training PINNs. Additionally, we explore the convergence capabilities of second-order methods and address the challenges of spectral bias and slow convergence. Every theoretical result is supported by numerical examples with both linear and nonlinear PDEs, and we validate our training method on benchmark test cases.  ( 2 min )

Outlier generation is a popular technique used for solving important outlier detection tasks. Generating outliers with realistic behavior is challenging. Popular existing methods tend to disregard the 'multiple views' property of outliers in high-dimensional spaces. The only existing method accounting for this property falls short in efficiency and effectiveness. We propose BISECT, a new outlier generation method that creates realistic outliers mimicking said property. To do so, BISECT employs a novel proposition introduced in this article stating how to efficiently generate said realistic outliers. Our method has better guarantees and complexity than the current methodology for recreating 'multiple views'. We use the synthetic outliers generated by BISECT to effectively enhance outlier detection in diverse datasets, for multiple use cases. For instance, oversampling with BISECT reduced the error by up to 3 times when compared with the baselines.  ( 2 min )

Diffusion models are generative models that have recently demonstrated impressive performances in terms of sampling quality and density estimation in high dimensions. They rely on a forward continuous diffusion process and a backward continuous denoising process, which can be described by a time-dependent vector field and is used as a generative model. In the original formulation of the diffusion model, this vector field is assumed to be the score function (i.e. it is the gradient of the log-probability at a given time in the diffusion process). Curiously, on the practical side, most studies on diffusion models implement this vector field as a neural network function and do not constrain it be the gradient of some energy function (that is, most studies do not constrain the vector field to be conservative). Even though some studies investigated empirically whether such a constraint will lead to a performance gain, they lead to contradicting results and failed to provide analytical results. Here, we provide three analytical results regarding the extent of the modeling freedom of this vector field. {Firstly, we propose a novel decomposition of vector fields into a conservative component and an orthogonal component which satisfies a given (gauge) freedom. Secondly, from this orthogonal decomposition, we show that exact density estimation and exact sampling is achieved when the conservative component is exactly equals to the true score and therefore conservativity is neither necessary nor sufficient to obtain exact density estimation and exact sampling. Finally, we show that when it comes to inferring local information of the data manifold, constraining the vector field to be conservative is desirable.  ( 3 min )

While graph convolutional networks show great practical promises, the theoretical understanding of their generalization properties as a function of the number of samples is still in its infancy compared to the more broadly studied case of supervised fully connected neural networks. In this article, we predict the performances of a single-layer graph convolutional network (GCN) trained on data produced by attributed stochastic block models (SBMs) in the high-dimensional limit. Previously, only ridge regression on contextual-SBM (CSBM) has been considered in Shi et al. 2022; we generalize the analysis to arbitrary convex loss and regularization for the CSBM and add the analysis for another data model, the neural-prior SBM. We also study the high signal-to-noise ratio limit, detail the convergence rates of the GCN and show that, while consistent, it does not reach the Bayes-optimal rate for any of the considered cases.  ( 2 min )

Given a collection of probability measures, a practitioner sometimes needs to find an "average" distribution which adequately aggregates reference distributions. A theoretically appealing notion of such an average is the Wasserstein barycenter, which is the primal focus of our work. By building upon the dual formulation of Optimal Transport (OT), we propose a new scalable approach for solving the Wasserstein barycenter problem. Our methodology is based on the recent Neural OT solver: it has bi-level adversarial learning objective and works for general cost functions. These are key advantages of our method, since the typical adversarial algorithms leveraging barycenter tasks utilize tri-level optimization and focus mostly on quadratic cost. We also establish theoretical error bounds for our proposed approach and showcase its applicability and effectiveness on illustrative scenarios and image data setups.  ( 2 min )

Masked graph autoencoders have emerged as a powerful graph self-supervised learning method that has yet to be fully explored. In this paper, we unveil that the existing discrete edge masking and binary link reconstruction strategies are insufficient to learn topologically informative representations, from the perspective of message propagation on graph neural networks. These limitations include blocking message flows, vulnerability to over-smoothness, and suboptimal neighborhood discriminability. Inspired by these understandings, we explore non-discrete edge masks, which are sampled from a continuous and dispersive probability distribution instead of the discrete Bernoulli distribution. These masks restrict the amount of output messages for each edge, referred to as "bandwidths". We propose a novel, informative, and effective topological masked graph autoencoder using bandwidth masking and a layer-wise bandwidth prediction objective. We demonstrate its powerful graph topological learning ability both theoretically and empirically. Our proposed framework outperforms representative baselines in both self-supervised link prediction (improving the discrete edge reconstructors by at most 20%) and node classification on numerous datasets, solely with a structure-learning pretext. Our implementation is available at https://github.com/Newiz430/Bandana.  ( 2 min )

Recently, federated learning (FL) has gained momentum because of its capability in preserving data privacy. To conduct model training by FL, multiple clients exchange model updates with a parameter server via Internet. To accelerate the communication speed, it has been explored to deploy a programmable switch (PS) in lieu of the parameter server to coordinate clients. The challenge to deploy the PS in FL lies in its scarce memory space, prohibiting running memory consuming aggregation algorithms on the PS. To overcome this challenge, we propose Federated Learning in-network Aggregation with Compression (FediAC) algorithm, consisting of two phases: client voting and model aggregating. In the former phase, clients report their significant model update indices to the PS to estimate global significant model updates. In the latter phase, clients upload global significant model updates to the PS for aggregation. FediAC consumes much less memory space and communication traffic than existing works because the first phase can guarantee consensus compression across clients. The PS easily aligns model update indices to swiftly complete aggregation in the second phase. Finally, we conduct extensive experiments by using public datasets to demonstrate that FediAC remarkably surpasses the state-of-the-art baselines in terms of model accuracy and communication traffic.  ( 2 min )

Offline reinforcement learning (RL) has attracted much attention due to its ability in learning from static offline datasets and eliminating the need of interacting with the environment. Nevertheless, the success of offline RL relies heavily on the offline transitions annotated with reward labels. In practice, we often need to hand-craft the reward function, which is sometimes difficult, labor-intensive, or inefficient. To tackle this challenge, we set our focus on the offline imitation learning (IL) setting, and aim at getting a reward function based on the expert data and unlabeled data. To that end, we propose a simple yet effective search-based offline IL method, tagged SEABO. SEABO allocates a larger reward to the transition that is close to its closest neighbor in the expert demonstration, and a smaller reward otherwise, all in an unsupervised learning manner. Experimental results on a variety of D4RL datasets indicate that SEABO can achieve competitive performance to offline RL algorithms with ground-truth rewards, given only a single expert trajectory, and can outperform prior reward learning and offline IL methods across many tasks. Moreover, we demonstrate that SEABO also works well if the expert demonstrations contain only observations. Our code is publicly available at https://github.com/dmksjfl/SEABO.  ( 2 min )

Sparse computation offers a compelling solution for the inference of Large Language Models (LLMs) in low-resource scenarios by dynamically skipping the computation of inactive neurons. While traditional approaches focus on ReLU-based LLMs, leveraging zeros in activation values, we broaden the scope of sparse LLMs beyond zero activation values. We introduce a general method that defines neuron activation through neuron output magnitudes and a tailored magnitude threshold, demonstrating that non-ReLU LLMs also exhibit sparse activation. To find the most efficient activation function for sparse computation, we propose a systematic framework to examine the sparsity of LLMs from three aspects: the trade-off between sparsity and performance, the predictivity of sparsity, and the hardware affinity. We conduct thorough experiments on LLMs utilizing different activation functions, including ReLU, SwiGLU, ReGLU, and ReLU$^2$. The results indicate that models employing ReLU$^2$ excel across all three evaluation aspects, highlighting its potential as an efficient activation function for sparse LLMs. We will release the code to facilitate future research.  ( 2 min )

Obtaining no-regret guarantees for reinforcement learning (RL) in the case of problems with continuous state and/or action spaces is still one of the major open challenges in the field. Recently, a variety of solutions have been proposed, but besides very specific settings, the general problem remains unsolved. In this paper, we introduce a novel structural assumption on the Markov decision processes (MDPs), namely $\nu-$smoothness, that generalizes most of the settings proposed so far (e.g., linear MDPs and Lipschitz MDPs). To face this challenging scenario, we propose two algorithms for regret minimization in $\nu-$smooth MDPs. Both algorithms build upon the idea of constructing an MDP representation through an orthogonal feature map based on Legendre polynomials. The first algorithm, \textsc{Legendre-Eleanor}, archives the no-regret property under weaker assumptions but is computationally inefficient, whereas the second one, \textsc{Legendre-LSVI}, runs in polynomial time, although for a smaller class of problems. After analyzing their regret properties, we compare our results with state-of-the-art ones from RL theory, showing that our algorithms achieve the best guarantees.  ( 2 min )

Anomaly detection (AD) plays a pivotal role in numerous web-based applications, including malware detection, anti-money laundering, device failure detection, and network fault analysis. Most methods, which rely on unsupervised learning, are hard to reach satisfactory detection accuracy due to the lack of labels. Weakly Supervised Anomaly Detection (WSAD) has been introduced with a limited number of labeled anomaly samples to enhance model performance. Nevertheless, it is still challenging for models, trained on an inadequate amount of labeled data, to generalize to unseen anomalies. In this paper, we introduce a novel framework Knowledge-Data Alignment (KDAlign) to integrate rule knowledge, typically summarized by human experts, to supplement the limited labeled data. Specifically, we transpose these rules into the knowledge space and subsequently recast the incorporation of knowledge as the alignment of knowledge and data. To facilitate this alignment, we employ the Optimal Transport (OT) technique. We then incorporate the OT distance as an additional loss term to the original objective function of WSAD methodologies. Comprehensive experimental results on five real-world datasets demonstrate that our proposed KDAlign framework markedly surpasses its state-of-the-art counterparts, achieving superior performance across various anomaly types.  ( 2 min )

Decision trees are renowned for their interpretability capability to achieve high predictive performance, especially on tabular data. Traditionally, they are constructed through recursive algorithms, where they partition the data at every node in a tree. However, identifying the best partition is challenging, as decision trees optimized for local segments may not bring global generalization. To address this, we introduce MetaTree, which trains a transformer-based model on filtered outputs from classical algorithms to produce strong decision trees for classification. Specifically, we fit both greedy decision trees and optimized decision trees on a large number of datasets. We then train MetaTree to produce the trees that achieve strong generalization performance. This training enables MetaTree to not only emulate these algorithms, but also to intelligently adapt its strategy according to the context, thereby achieving superior generalization performance.  ( 2 min )

Air quality prediction and modelling plays a pivotal role in public health and environment management, for individuals and authorities to make informed decisions. Although traditional data-driven models have shown promise in this domain, their long-term prediction accuracy can be limited, especially in scenarios with sparse or incomplete data and they often rely on black-box deep learning structures that lack solid physical foundation leading to reduced transparency and interpretability in predictions. To address these limitations, this paper presents a novel approach named Physics guided Neural Network for Air Quality Prediction (AirPhyNet). Specifically, we leverage two well-established physics principles of air particle movement (diffusion and advection) by representing them as differential equation networks. Then, we utilize a graph structure to integrate physics knowledge into a neural network architecture and exploit latent representations to capture spatio-temporal relationships within the air quality data. Experiments on two real-world benchmark datasets demonstrate that AirPhyNet outperforms state-of-the-art models for different testing scenarios including different lead time (24h, 48h, 72h), sparse data and sudden change prediction, achieving reduction in prediction errors up to 10%. Moreover, a case study further validates that our model captures underlying physical processes of particle movement and generates accurate predictions with real physical meaning.  ( 2 min )

In reinforcement Learning (RL), an instant reward signal is generated for each action of the agent, such that the agent learns to maximize the cumulative reward to obtain the optimal policy. However, in many real-world applications, the instant reward signals are not obtainable by the agent. Instead, the learner only obtains rewards at the ends of bags, where a bag is defined as a partial sequence of a complete trajectory. In this situation, the learner has to face the significant difficulty of exploring the unknown instant rewards in the bags, which could not be addressed by existing approaches, including those trajectory-based approaches that consider only complete trajectories and ignore the inner reward distributions. To formally study this situation, we introduce a novel RL setting termed Reinforcement Learning from Bagged Rewards (RLBR), where only the bagged rewards of sequences can be obtained. We provide the theoretical study to establish the connection between RLBR and standard RL in Markov Decision Processes (MDPs). To effectively explore the reward distributions within the bagged rewards, we propose a Transformer-based reward model, the Reward Bag Transformer (RBT), which uses the self-attention mechanism for interpreting the contextual nuances and temporal dependencies within each bag. Extensive experimental analyses demonstrate the superiority of our method, particularly in its ability to mimic the original MDP's reward distribution, highlighting its proficiency in contextual understanding and adaptability to environmental dynamics.  ( 3 min )

In Federated Learning (FL) paradigm, a parameter server (PS) concurrently communicates with distributed participating clients for model collection, update aggregation, and model distribution over multiple rounds, without touching private data owned by individual clients. FL is appealing in preserving data privacy; yet the communication between the PS and scattered clients can be a severe bottleneck. Model compression algorithms, such as quantization and sparsification, have been suggested but they generally assume a fixed code length, which does not reflect the heterogeneity and variability of model updates. In this paper, through both analysis and experiments, we show strong evidences that variable-length is beneficial for compression in FL. We accordingly present Fed-CVLC (Federated Learning Compression with Variable-Length Codes), which fine-tunes the code length in response of the dynamics of model updates. We develop optimal tuning strategy that minimizes the loss function (equivalent to maximizing the model utility) subject to the budget for communication. We further demonstrate that Fed-CVLC is indeed a general compression design that bridges quantization and sparsification, with greater flexibility. Extensive experiments have been conducted with public datasets to demonstrate that Fed-CVLC remarkably outperforms state-of-the-art baselines, improving model utility by 1.50%-5.44%, or shrinking communication traffic by 16.67%-41.61%.  ( 2 min )

With the arrival of the big data era, mobility profiling has become a viable method of utilizing enormous amounts of mobility data to create an intelligent transportation system. Mobility profiling can extract potential patterns in urban traffic from mobility data and is critical for a variety of traffic-related applications. However, due to the high level of complexity and the huge amount of data, mobility profiling faces huge challenges. Digital Twin (DT) technology paves the way for cost-effective and performance-optimised management by digitally creating a virtual representation of the network to simulate its behaviour. In order to capture the complex spatio-temporal features in traffic scenario, we construct alignment diagrams to assist in completing the spatio-temporal correlation representation and design dilated alignment convolution network (DACN) to learn the fine-grained correlations, i.e., spatio-temporal interactions. We propose a digital twin mobility profiling (DTMP) framework to learn node profiles on a mobility network DT model. Extensive experiments have been conducted upon three real-world datasets. Experimental results demonstrate the effectiveness of DTMP.  ( 2 min )

Generating a data set that is representative of the accessible configuration space of a molecular system is crucial for the robustness of machine learned interatomic potentials (MLIP). However, the complexity of molecular systems, characterized by intricate potential energy surfaces (PESs) with numerous local minima and energy barriers, presents a significant challenge. Traditional methods of data generation, such as random sampling or exhaustive exploration, are either intractable or may not capture rare, but highly informative configurations. In this study, we propose a method that leverages uncertainty as the collective variable (CV) to guide the acquisition of chemically-relevant data points, focusing on regions of the configuration space where ML model predictions are most uncertain. This approach employs a Gaussian Mixture Model-based uncertainty metric from a single model as the CV for biased molecular dynamics simulations. The effectiveness of our approach in overcoming energy barriers and exploring unseen energy minima, thereby enhancing the data set in an active learning framework, is demonstrated on the alanine dipeptide benchmark system.  ( 2 min )

The discovery of partial differential equations (PDEs) from datasets has attracted increased attention. However, the discovery of governing equations from sparse data with high noise is still very challenging due to the difficulty of derivatives computation and the disturbance of noise. Moreover, the selection principles for the candidate library to meet physical laws need to be further studied. The invariance is one of the fundamental laws for governing equations. In this study, we propose an invariance constrained deep learning network (ICNet) for the discovery of PDEs. Considering that temporal and spatial translation invariance (Galilean invariance) is a fundamental property of physical laws, we filter the candidates that cannot meet the requirement of the Galilean transformations. Subsequently, we embedded the fixed and possible terms into the loss function of neural network, significantly countering the effect of sparse data with high noise. Then, by filtering out redundant terms without fixing learnable parameters during the training process, the governing equations discovered by the ICNet method can effectively approximate the real governing equations. We select the 2D Burgers equation, the equation of 2D channel flow over an obstacle, and the equation of 3D intracranial aneurysm as examples to verify the superiority of the ICNet for fluid mechanics. Furthermore, we extend similar invariance methods to the discovery of wave equation (Lorentz Invariance) and verify it through Single and Coupled Klein-Gordon equation. The results show that the ICNet method with physical constraints exhibits excellent performance in governing equations discovery from sparse and noisy data.  ( 3 min )

Recent advances in multi-agent reinforcement learning (MARL) have opened up vast application prospects, including swarm control of drones, collaborative manipulation by robotic arms, and multi-target encirclement. However, potential security threats during the MARL deployment need more attention and thorough investigation. Recent researches reveal that an attacker can rapidly exploit the victim's vulnerabilities and generate adversarial policies, leading to the victim's failure in specific tasks. For example, reducing the winning rate of a superhuman-level Go AI to around 20%. They predominantly focus on two-player competitive environments, assuming attackers possess complete global state observation. In this study, we unveil, for the first time, the capability of attackers to generate adversarial policies even when restricted to partial observations of the victims in multi-agent competitive environments. Specifically, we propose a novel black-box attack (SUB-PLAY), which incorporates the concept of constructing multiple subgames to mitigate the impact of partial observability and suggests the sharing of transitions among subpolicies to improve the exploitative ability of attackers. Extensive evaluations demonstrate the effectiveness of SUB-PLAY under three typical partial observability limitations. Visualization results indicate that adversarial policies induce significantly different activations of the victims' policy networks. Furthermore, we evaluate three potential defenses aimed at exploring ways to mitigate security threats posed by adversarial policies, providing constructive recommendations for deploying MARL in competitive environments.  ( 2 min )

We address the problem of learning Granger causality from asynchronous, interdependent, multi-type event sequences. In particular, we are interested in discovering instance-level causal structures in an unsupervised manner. Instance-level causality identifies causal relationships among individual events, providing more fine-grained information for decision-making. Existing work in the literature either requires strong assumptions, such as linearity in the intensity function, or heuristically defined model parameters that do not necessarily meet the requirements of Granger causality. We propose Instance-wise Self-Attentive Hawkes Processes (ISAHP), a novel deep learning framework that can directly infer the Granger causality at the event instance level. ISAHP is the first neural point process model that meets the requirements of Granger causality. It leverages the self-attention mechanism of the transformer to align with the principles of Granger causality. We empirically demonstrate that ISAHP is capable of discovering complex instance-level causal structures that cannot be handled by classical models. We also show that ISAHP achieves state-of-the-art performance in proxy tasks involving type-level causal discovery and instance-level event type prediction.  ( 2 min )

We consider a high-dimensional stochastic contextual linear bandit problem when the parameter vector is $s_{0}$-sparse and the decision maker is subject to privacy constraints under both central and local models of differential privacy. We present PrivateLASSO, a differentially private LASSO bandit algorithm. PrivateLASSO is based on two sub-routines: (i) a sparse hard-thresholding-based privacy mechanism and (ii) an episodic thresholding rule for identifying the support of the parameter $\theta$. We prove minimax private lower bounds and establish privacy and utility guarantees for PrivateLASSO for the central model under standard assumptions.  ( 2 min )

Text-attributed graphs (TAGs) present unique challenges for direct processing by Language Learning Models (LLMs), yet their extensive commonsense knowledge and robust reasoning capabilities offer great promise for node classification in TAGs. Prior research in this field has grappled with issues such as over-squashing, heterophily, and ineffective graph information integration, further compounded by inconsistencies in dataset partitioning and underutilization of advanced LLMs. To address these challenges, we introduce Similarity-based Neighbor Selection (SNS). Using SimCSE and advanced neighbor selection techniques, SNS effectively improves the quality of selected neighbors, thereby improving graph representation and alleviating issues like over-squashing and heterophily. Besides, as an inductive and training-free approach, SNS demonstrates superior generalization and scalability over traditional GNN methods. Our comprehensive experiments, adhering to standard dataset partitioning practices, demonstrate that SNS, through simple prompt interactions with LLMs, consistently outperforms vanilla GNNs and achieves state-of-the-art results on datasets like PubMed in node classification, showcasing LLMs' potential in graph structure understanding. Our research further underscores the significance of graph structure integration in LLM applications and identifies key factors for their success in node classification. Code is available at https://github.com/ruili33/SNS.  ( 2 min )

In supervised learning, models are trained to extract correlations from a static dataset. This often leads to models that rely on high-level misconceptions. To prevent such misconceptions, we must necessarily provide additional information beyond the training data. Existing methods incorporate forms of additional instance-level supervision, such as labels for spurious features or additional labeled data from a balanced distribution. Such strategies can become prohibitively costly for large-scale datasets since they require additional annotation at a scale close to the original training data. We hypothesize that targeted natural language feedback about a model's misconceptions is a more efficient form of additional supervision. We introduce Clarify, a novel interface and method for interactively correcting model misconceptions. Through Clarify, users need only provide a short text description to describe a model's consistent failure patterns. Then, in an entirely automated way, we use such descriptions to improve the training process by reweighting the training data or gathering additional targeted data. Our user studies show that non-expert users can successfully describe model misconceptions via Clarify, improving worst-group accuracy by an average of 17.1% in two datasets. Additionally, we use Clarify to find and rectify 31 novel hard subpopulations in the ImageNet dataset, improving minority-split accuracy from 21.1% to 28.7%.  ( 2 min )

Discrete diffusion models have seen a surge of attention with applications on naturally discrete data such as language and graphs. Although discrete-time discrete diffusion has been established for a while, only recently Campbell et al. (2022) introduced the first framework for continuous-time discrete diffusion. However, their training and sampling processes differ significantly from the discrete-time version, necessitating nontrivial approximations for tractability. In this paper, we first present a series of mathematical simplifications of the variational lower bound that enable more accurate and easy-to-optimize training for discrete diffusion. In addition, we derive a simple formulation for backward denoising that enables exact and accelerated sampling, and importantly, an elegant unification of discrete-time and continuous-time discrete diffusion. Thanks to simpler analytical formulations, both forward and now also backward probabilities can flexibly accommodate any noise distribution, including different noise distributions for multi-element objects. Experiments show that our proposed USD3 (for Unified Simplified Discrete Denoising Diffusion) outperform all SOTA baselines on established datasets. We open-source our unified code at https://github.com/LingxiaoShawn/USD3.  ( 2 min )

The \textit{local learning coefficient} (LLC) is a principled way of quantifying model complexity, originally derived in the context of Bayesian statistics using singular learning theory (SLT). Several methods are known for numerically estimating the local learning coefficient, but so far these methods have not been extended to the scale of modern deep learning architectures or data sets. Using a method developed in {\tt arXiv:2308.12108 [stat.ML]} we empirically show how the LLC may be measured accurately and self-consistently for deep linear networks (DLNs) up to 100M parameters. We also show that the estimated LLC has the rescaling invariance that holds for the theoretical quantity.  ( 2 min )

The partial Gromov-Wasserstein (PGW) problem facilitates the comparison of measures with unequal masses residing in potentially distinct metric spaces, thereby enabling unbalanced and partial matching across these spaces. In this paper, we demonstrate that the PGW problem can be transformed into a variant of the Gromov-Wasserstein problem, akin to the conversion of the partial optimal transport problem into an optimal transport problem. This transformation leads to two new solvers, mathematically and computationally equivalent, based on the Frank-Wolfe algorithm, that provide efficient solutions to the PGW problem. We further establish that the PGW problem constitutes a metric for metric measure spaces. Finally, we validate the effectiveness of our proposed solvers in terms of computation time and performance on shape-matching and positive-unlabeled learning problems, comparing them against existing baselines.  ( 2 min )

Graph generation has been dominated by autoregressive models due to their simplicity and effectiveness, despite their sensitivity to ordering. Yet diffusion models have garnered increasing attention, as they offer comparable performance while being permutation-invariant. Current graph diffusion models generate graphs in a one-shot fashion, but they require extra features and thousands of denoising steps to achieve optimal performance. We introduce PARD, a Permutation-invariant Auto Regressive Diffusion model that integrates diffusion models with autoregressive methods. PARD harnesses the effectiveness and efficiency of the autoregressive model while maintaining permutation invariance without ordering sensitivity. Specifically, we show that contrary to sets, elements in a graph are not entirely unordered and there is a unique partial order for nodes and edges. With this partial order, PARD generates a graph in a block-by-block, autoregressive fashion, where each block's probability is conditionally modeled by a shared diffusion model with an equivariant network. To ensure efficiency while being expressive, we further propose a higher-order graph transformer, which integrates transformer with PPGN. Like GPT, we extend the higher-order graph transformer to support parallel training of all blocks. Without any extra features, PARD achieves state-of-the-art performance on molecular and non-molecular datasets, and scales to large datasets like MOSES containing 1.9M molecules.  ( 2 min )

In this study, we present a transductive inference approach on that reward information propagation graph, which enables the effective estimation of rewards for unlabelled data in offline reinforcement learning. Reward inference is the key to learning effective policies in practical scenarios, while direct environmental interactions are either too costly or unethical and the reward functions are rarely accessible, such as in healthcare and robotics. Our research focuses on developing a reward inference method based on the contextual properties of information propagation on graphs that capitalizes on a constrained number of human reward annotations to infer rewards for unlabelled data. We leverage both the available data and limited reward annotations to construct a reward propagation graph, wherein the edge weights incorporate various influential factors pertaining to the rewards. Subsequently, we employ the constructed graph for transductive reward inference, thereby estimating rewards for unlabelled data. Furthermore, we establish the existence of a fixed point during several iterations of the transductive inference process and demonstrate its at least convergence to a local optimum. Empirical evaluations on locomotion and robotic manipulation tasks validate the effectiveness of our approach. The application of our inferred rewards improves the performance in offline reinforcement learning tasks.  ( 2 min )

To handle AI tasks that combine perception and logical reasoning, recent work introduces Neurosymbolic Deep Neural Networks (NS-DNNs), which contain -- in addition to traditional neural layers -- symbolic layers: symbolic expressions (e.g., SAT formulas, logic programs) that are evaluated by symbolic solvers during inference. We identify and formalize an intuitive, high-level principle that can guide the design and analysis of NS-DNNs: symbol correctness, the correctness of the intermediate symbols predicted by the neural layers with respect to a (generally unknown) ground-truth symbolic representation of the input data. We demonstrate that symbol correctness is a necessary property for NS-DNN explainability and transfer learning (despite being in general impossible to train for). Moreover, we show that the framework of symbol correctness provides a precise way to reason and communicate about model behavior at neural-symbolic boundaries, and gives insight into the fundamental tradeoffs faced by NS-DNN training algorithms. In doing so, we both identify significant points of ambiguity in prior work, and provide a framework to support further NS-DNN developments.  ( 2 min )

The pretraining-finetuning paradigm has become the prevailing trend in modern deep learning. In this work, we discover an intriguing linear phenomenon in models that are initialized from a common pretrained checkpoint and finetuned on different tasks, termed as Cross-Task Linearity (CTL). Specifically, if we linearly interpolate the weights of two finetuned models, the features in the weight-interpolated model are approximately equal to the linear interpolation of features in two finetuned models at each layer. Such cross-task linearity has not been noted in peer literature. We provide comprehensive empirical evidence supporting that CTL consistently occurs for finetuned models that start from the same pretrained checkpoint. We conjecture that in the pretraining-finetuning paradigm, neural networks essentially function as linear maps, mapping from the parameter space to the feature space. Based on this viewpoint, our study unveils novel insights into explaining model merging/editing, particularly by translating operations from the parameter space to the feature space. Furthermore, we delve deeper into the underlying factors for the emergence of CTL, emphasizing the impact of pretraining.  ( 2 min )

Explaining stock predictions is generally a difficult task for traditional non-generative deep learning models, where explanations are limited to visualizing the attention weights on important texts. Today, Large Language Models (LLMs) present a solution to this problem, given their known capabilities to generate human-readable explanations for their decision-making process. However, the task of stock prediction remains challenging for LLMs, as it requires the ability to weigh the varying impacts of chaotic social texts on stock prices. The problem gets progressively harder with the introduction of the explanation component, which requires LLMs to explain verbally why certain factors are more important than the others. On the other hand, to fine-tune LLMs for such a task, one would need expert-annotated samples of explanation for every stock movement in the training set, which is expensive and impractical to scale. To tackle these issues, we propose our Summarize-Explain-Predict (SEP) framework, which utilizes a self-reflective agent and Proximal Policy Optimization (PPO) to let a LLM teach itself how to generate explainable stock predictions in a fully autonomous manner. The reflective agent learns how to explain past stock movements through self-reasoning, while the PPO trainer trains the model to generate the most likely explanations from input texts. The training samples for the PPO trainer are also the responses generated during the reflective process, which eliminates the need for human annotators. Using our SEP framework, we fine-tune a LLM that can outperform both traditional deep-learning and LLM methods in prediction accuracy and Matthews correlation coefficient for the stock classification task. To justify the generalization capability of our framework, we further test it on the portfolio construction task, and demonstrate its effectiveness through various portfolio metrics.  ( 3 min )

Recent advancements have introduced machine learning frameworks to enhance the Branch and Bound (B\&B) branching policies for solving Mixed Integer Linear Programming (MILP). These methods, primarily relying on imitation learning of Strong Branching, have shown superior performance. However, collecting expert samples for imitation learning, particularly for Strong Branching, is a time-consuming endeavor. To address this challenge, we propose \textbf{C}ontrastive Learning with \textbf{A}ugmented \textbf{M}ILPs for \textbf{Branch}ing (CAMBranch), a framework that generates Augmented MILPs (AMILPs) by applying variable shifting to limited expert data from their original MILPs. This approach enables the acquisition of a considerable number of labeled expert samples. CAMBranch leverages both MILPs and AMILPs for imitation learning and employs contrastive learning to enhance the model's ability to capture MILP features, thereby improving the quality of branching decisions. Experimental results demonstrate that CAMBranch, trained with only 10\% of the complete dataset, exhibits superior performance. Ablation studies further validate the effectiveness of our method.  ( 2 min )

Computing eigenvalue decomposition (EVD) of a given linear operator, or finding its leading eigenvalues and eigenfunctions, is a fundamental task in many machine learning and scientific computing problems. For high-dimensional eigenvalue problems, training neural networks to parameterize the eigenfunctions is considered as a promising alternative to the classical numerical linear algebra techniques. This paper proposes a new optimization framework based on the low-rank approximation characterization of a truncated singular value decomposition, accompanied by new techniques called nesting for learning the top-$L$ singular values and singular functions in the correct order. The proposed method promotes the desired orthogonality in the learned functions implicitly and efficiently via an unconstrained optimization formulation, which is easy to solve with off-the-shelf gradient-based optimization algorithms. We demonstrate the effectiveness of the proposed optimization framework for use cases in computational physics and machine learning.  ( 2 min )

Network traffic refers to the amount of information being sent and received over the internet or any system that connects computers. Analyzing and understanding network traffic is vital for improving network security and management. However, the analysis of network traffic poses great challenges due to the unique characteristics of data packets, such as heterogeneous headers and encrypted payload lacking semantics. To capture the latent semantics of traffic, a few studies have adopted pre-training techniques based on the Transformer encoder or decoder to learn the representations from large-scale traffic data. However, these methods typically excel only in traffic understanding (classification) or traffic generation tasks. To address this issue, we develop Lens, a foundational network traffic model that leverages the T5 architecture to learn the pre-trained representations from large-scale unlabeled data. Harnessing the strength of the encoder-decoder framework, which captures the global information while preserving the generative ability, our model can better learn the representations from large-scale network traffic. To further enhance pre-training performance, we design a novel loss that integrates three distinct tasks, namely Masked Span Prediction (MSP), Packet Order Prediction (POP), and Homologous Traffic Prediction (HTP). Evaluation results on multiple benchmark datasets demonstrate that the proposed Lens outperforms the baselines in most downstream tasks related to both traffic understanding and traffic generation. Notably, it also requires considerably less labeled data for fine-tuning compared to current methods.  ( 2 min )

Ensuring privacy-preserving inference on cryptographically secure data is a well-known computational challenge. To alleviate the bottleneck of costly cryptographic computations in non-linear activations, recent methods have suggested linearizing a targeted portion of these activations in neural networks. This technique results in significantly reduced runtimes with often negligible impacts on accuracy. In this paper, we demonstrate that such computational benefits may lead to increased fairness costs. Specifically, we find that reducing the number of ReLU activations disproportionately decreases the accuracy for minority groups compared to majority groups. To explain these observations, we provide a mathematical interpretation under restricted assumptions about the nature of the decision boundary, while also showing the prevalence of this problem across widely used datasets and architectures. Finally, we show how a simple procedure altering the fine-tuning step for linearized models can serve as an effective mitigation strategy.  ( 2 min )

Probabilistic circuits (PCs) such as sum-product networks efficiently represent large multi-variate probability distributions. They are preferred in practice over other probabilistic representations such as Bayesian and Markov networks because PCs can solve marginal inference (MAR) tasks in time that scales linearly in the size of the network. Unfortunately, the maximum-a-posteriori (MAP) and marginal MAP (MMAP) tasks remain NP-hard in these models. Inspired by the recent work on using neural networks for generating near-optimal solutions to optimization problems such as integer linear programming, we propose an approach that uses neural networks to approximate (M)MAP inference in PCs. The key idea in our approach is to approximate the cost of an assignment to the query variables using a continuous multilinear function, and then use the latter as a loss function. The two main benefits of our new method are that it is self-supervised and after the neural network is learned, it requires only linear time to output a solution. We evaluate our new approach on several benchmark datasets and show that it outperforms three competing linear time approximations, max-product inference, max-marginal inference and sequential estimation, which are used in practice to solve MMAP tasks in PCs.  ( 2 min )

In this paper, we study the optimality gap between two-layer ReLU networks regularized with weight decay and their convex relaxations. We show that when the training data is random, the relative optimality gap between the original problem and its relaxation can be bounded by a factor of $O(\sqrt{\log n})$, where $n$ is the number of training samples. A simple application leads to a tractable polynomial-time algorithm that is guaranteed to solve the original non-convex problem up to a logarithmic factor. Moreover, under mild assumptions, we show that with random initialization on the parameters local gradient methods almost surely converge to a point that has low training loss. Our result is an exponential improvement compared to existing results and sheds new light on understanding why local gradient methods work well.  ( 2 min )

We study the problem of automatically discovering Granger causal relations from observational multivariate time-series data. Vector autoregressive (VAR) models have been time-tested for this problem, including Bayesian variants and more recent developments using deep neural networks. Most existing VAR methods for Granger causality use sparsity-inducing penalties/priors or post-hoc thresholds to interpret their coefficients as Granger causal graphs. Instead, we propose a new Bayesian VAR model with a hierarchical graph prior over binary Granger causal graphs, separately from the VAR coefficients. We develop an efficient algorithm to infer the posterior over binary Granger causal graphs. Our method provides better uncertainty quantification, has less hyperparameters, and achieves better performance than competing approaches, especially on sparse multivariate time-series data.  ( 2 min )

Owing to recent advancements, Large Language Models (LLMs) can now be deployed as agents for increasingly complex decision-making applications in areas including robotics, gaming, and API integration. However, reflecting past experiences in current decision-making processes, an innate human behavior, continues to pose significant challenges. Addressing this, we propose Retrieval-Augmented Planning (RAP) framework, designed to dynamically leverage past experiences corresponding to the current situation and context, thereby enhancing agents' planning capabilities. RAP distinguishes itself by being versatile: it excels in both text-only and multimodal environments, making it suitable for a wide range of tasks. Empirical evaluations demonstrate RAP's effectiveness, where it achieves SOTA performance in textual scenarios and notably enhances multimodal LLM agents' performance for embodied tasks. These results highlight RAP's potential in advancing the functionality and applicability of LLM agents in complex, real-world applications.  ( 2 min )

Bike-Sharing Systems provide eco-friendly urban mobility, contributing to the alleviation of traffic congestion and to healthier lifestyles. Efficiently operating such systems and maintaining high customer satisfaction is challenging due to the stochastic nature of trip demand, leading to full or empty stations. Devising effective rebalancing strategies using vehicles to redistribute bikes among stations is therefore of uttermost importance for operators. As a promising alternative to classical mathematical optimization, reinforcement learning is gaining ground to solve sequential decision-making problems. This paper introduces a spatio-temporal reinforcement learning algorithm for the dynamic rebalancing problem with multiple vehicles. We first formulate the problem as a Multi-agent Markov Decision Process in a continuous time framework. This allows for independent and cooperative vehicle rebalancing, eliminating the impractical restriction of time-discretized models where vehicle departures are synchronized. A comprehensive simulator under the first-arrive-first-serve rule is then developed to facilitate the learning process by computing immediate rewards under diverse demand scenarios. To estimate the value function and learn the rebalancing policy, various Deep Q-Network configurations are tested, minimizing the lost demand. Experiments are carried out on various datasets generated from historical data, affected by both temporal and weather factors. The proposed algorithms outperform benchmarks, including a multi-period Mixed-Integer Programming model, in terms of lost demand. Once trained, it yields immediate decisions, making it suitable for real-time applications. Our work offers practical insights for operators and enriches the integration of reinforcement learning into dynamic rebalancing problems, paving the way for more intelligent and robust urban mobility solutions.  ( 3 min )

Research in machine learning is making progress in fixing its own reproducibility crisis. Reinforcement learning (RL), in particular, faces its own set of unique challenges. Comparison of point estimates, and plots that show successful convergence to the optimal policy during training, may obfuscate overfitting or dependence on the experimental setup. Although researchers in RL have proposed reliability metrics that account for uncertainty to better understand each algorithm's strengths and weaknesses, the recommendations of past work do not assume the presence of out-of-distribution observations. We propose a set of evaluation methods that measure the robustness of RL algorithms under distribution shifts. The tools presented here argue for the need to account for performance over time while the agent is acting in its environment. In particular, we recommend time series analysis as a method of observational RL evaluation. We also show that the unique properties of RL and simulated dynamic environments allow us to make stronger assumptions to justify the measurement of causal impact in our evaluations. We then apply these tools to single-agent and multi-agent environments to show the impact of introducing distribution shifts during test time. We present this methodology as a first step toward rigorous RL evaluation in the presence of distribution shifts.  ( 3 min )

Domain adversarial adaptation in a continual setting poses a significant challenge due to the limitations on accessing previous source domain data. Despite extensive research in continual learning, the task of adversarial adaptation cannot be effectively accomplished using only a small number of stored source domain data, which is a standard setting in memory replay approaches. This limitation arises from the erroneous empirical estimation of $\gH$-divergence with few source domain samples. To tackle this problem, we propose a double-head discriminator algorithm, by introducing an addition source-only domain discriminator that are trained solely on source learning phase. We prove that with the introduction of a pre-trained source-only domain discriminator, the empirical estimation error of $\gH$-divergence related adversarial loss is reduced from the source domain side. Further experiments on existing domain adaptation benchmark show that our proposed algorithm achieves more than 2$\%$ improvement on all categories of target domain adaptation task while significantly mitigating the forgetting on source domain.  ( 2 min )

Correlation clustering is a powerful unsupervised learning paradigm that supports positive and negative similarities. In this paper, we assume the similarities are not known in advance. Instead, we employ active learning to iteratively query similarities in a cost-efficient way. In particular, we develop three effective acquisition functions to be used in this setting. One is based on the notion of inconsistency (i.e., when similarities violate the transitive property). The remaining two are based on information-theoretic quantities, i.e., entropy and information gain.  ( 2 min )

In this paper, we study the "dataset bias" problem from a statistical standpoint, and identify the main cause of the problem as the strong correlation between a class attribute u and a non-class attribute b in the input x, represented by p(u|b) differing significantly from p(u). Since p(u|b) appears as part of the sampling distributions in the standard maximum log-likelihood (MLL) objective, a model trained on a biased dataset via MLL inherently incorporates such correlation into its parameters, leading to poor generalization to unbiased test data. From this observation, we propose to mitigate dataset bias via either weighting the objective of each sample n by \frac{1}{p(u_{n}|b_{n})} or sampling that sample with a weight proportional to \frac{1}{p(u_{n}|b_{n})}. While both methods are statistically equivalent, the former proves more stable and effective in practice. Additionally, we establish a connection between our debiasing approach and causal reasoning, reinforcing our method's theoretical foundation. However, when the bias label is unavailable, computing p(u|b) exactly is difficult. To overcome this challenge, we propose to approximate \frac{1}{p(u|b)} using a biased classifier trained with "bias amplification" losses. Extensive experiments on various biased datasets demonstrate the superiority of our method over existing debiasing techniques in most settings, validating our theoretical analysis.  ( 2 min )

The second-order properties of the training loss have a massive impact on the optimization dynamics of deep learning models. Fort & Scherlis (2019) discovered that a high positive curvature and local convexity of the loss Hessian are associated with highly trainable initial points located in a region coined the "Goldilocks zone". Only a handful of subsequent studies touched upon this relationship, so it remains largely unexplained. In this paper, we present a rigorous and comprehensive analysis of the Goldilocks zone for homogeneous neural networks. In particular, we derive the fundamental condition resulting in non-zero positive curvature of the loss Hessian and argue that it is only incidentally related to the initialization norm, contrary to prior beliefs. Further, we relate high positive curvature to model confidence, low initial loss, and a previously unknown type of vanishing cross-entropy loss gradient. To understand the importance of positive curvature for trainability of deep networks, we optimize both fully-connected and convolutional architectures outside the Goldilocks zone and analyze the emergent behaviors. We find that strong model performance is not necessarily aligned with the Goldilocks zone, which questions the practical significance of this concept.  ( 2 min )

We have widely observed that neural networks are vulnerable to small additive perturbations to the input causing misclassification. In this paper, we focus on the $\ell_0$-bounded adversarial attacks, and aim to theoretically characterize the performance of adversarial training for an important class of truncated classifiers. Such classifiers are shown to have strong performance empirically, as well as theoretically in the Gaussian mixture model, in the $\ell_0$-adversarial setting. The main contribution of this paper is to prove a novel generalization bound for the binary classification setting with $\ell_0$-bounded adversarial perturbation that is distribution-independent. Deriving a generalization bound in this setting has two main challenges: (i) the truncated inner product which is highly non-linear; and (ii) maximization over the $\ell_0$ ball due to adversarial training is non-convex and highly non-smooth. To tackle these challenges, we develop new coding techniques for bounding the combinatorial dimension of the truncated hypothesis class.  ( 2 min )

We introduce Diffusion World Model (DWM), a conditional diffusion model capable of predicting multistep future states and rewards concurrently. As opposed to traditional one-step dynamics models, DWM offers long-horizon predictions in a single forward pass, eliminating the need for recursive quires. We integrate DWM into model-based value estimation, where the short-term return is simulated by future trajectories sampled from DWM. In the context of offline reinforcement learning, DWM can be viewed as a conservative value regularization through generative modeling. Alternatively, it can be seen as a data source that enables offline Q-learning with synthetic data. Our experiments on the D4RL dataset confirm the robustness of DWM to long-horizon simulation. In terms of absolute performance, DWM significantly surpasses one-step dynamics models with a $44\%$ performance gain, and achieves state-of-the-art performance.  ( 2 min )

We study the feasibility of identifying epistemic uncertainty (reflecting a lack of knowledge), as opposed to aleatoric uncertainty (reflecting entropy in the underlying distribution), in the outputs of large language models (LLMs) over free-form text. In the absence of ground-truth probabilities, we explore a setting where, in order to (approximately) disentangle a given LLM's uncertainty, a significantly larger model stands in as a proxy for the ground truth. We show that small linear probes trained on the embeddings of frozen, pretrained models accurately predict when larger models will be more confident at the token level and that probes trained on one text domain generalize to others. Going further, we propose a fully unsupervised method that achieves non-trivial accuracy on the same task. Taken together, we interpret these results as evidence that LLMs naturally contain internal representations of different types of uncertainty that could potentially be leveraged to devise more informative indicators of model confidence in diverse practical settings.  ( 2 min )

In light of recent work on scheduling with predicted job sizes, we consider the effect of the cost of predictions in queueing systems, removing the assumption in prior research that predictions are external to the system's resources and/or cost-free. In particular, we introduce a novel approach to utilizing predictions, SkipPredict, designed to address their inherent cost. Rather than uniformly applying predictions to all jobs, we propose a tailored approach that categorizes jobs based on their prediction requirements. To achieve this, we employ one-bit "cheap predictions" to classify jobs as either short or long. SkipPredict prioritizes predicted short jobs over long jobs, and for the latter, SkipPredict applies a second round of more detailed "expensive predictions" to approximate Shortest Remaining Processing Time for these jobs. Our analysis takes into account the cost of prediction. We examine the effect of this cost for two distinct models. In the external cost model, predictions are generated by some external method without impacting job service times but incur a cost. In the server time cost model, predictions themselves require server processing time, and are scheduled on the same server as the jobs.  ( 2 min )

Generative diffusion models excel at robustly synthesizing coherent content from raw noise through a sequential process. However, their direct application in scenarios requiring outputs to adhere to specific, stringent criteria faces several severe challenges. This paper aims at overcome these challenges and introduces Projected Generative Diffusion Models (PGDM), an approach that recast traditional diffusion models sampling into a constrained-optimization problem. This enables the application of an iterative projections method to ensure that generated data faithfully adheres to specified constraints or physical principles. This paper provides theoretical support for the ability of PGDM to synthesize outputs from a feasible subdistribution under a restricted class of constraints while also providing large empirical evidence in the case of complex non-convex constraints and ordinary differential equations. These capabilities are demonstrated by physics-informed motion in video generation, trajectory optimization in path planning, and morphometric properties adherence in material science.  ( 2 min )

The path signature, having enjoyed recent success in the machine learning community, is a theoretically-driven method for engineering features from irregular paths. On the other hand, graph neural networks (GNN), neural architectures for processing data on graphs, excel on tasks with irregular domains, such as sensor networks. In this paper, we introduce a novel approach, Path Signature Graph Convolutional Neural Networks (PS-GCNN), integrating path signatures into graph convolutional neural networks (GCNN), and leveraging the strengths of both path signatures, for feature extraction, and GCNNs, for handling spatial interactions. We apply our method to analyze slow earthquake sequences, also called slow slip events (SSE), utilizing data from GPS timeseries, with a case study on a GPS sensor network on the east coast of New Zealand's north island. We also establish benchmarks for our method on simulated stochastic differential equations, which model similar reaction-diffusion phenomenon. Our methodology shows promise for future advancement in earthquake prediction and sensor network analysis.  ( 2 min )

This paper addresses the prevalent issue of label shift in an online setting with missing labels, where data distributions change over time and obtaining timely labels is challenging. While existing methods primarily focus on adjusting or updating the final layer of a pre-trained classifier, we explore the untapped potential of enhancing feature representations using unlabeled data at test-time. Our novel method, Online Label Shift adaptation with Online Feature Updates (OLS-OFU), leverages self-supervised learning to refine the feature extraction process, thereby improving the prediction model. Theoretical analyses confirm that OLS-OFU reduces algorithmic regret by capitalizing on self-supervised learning for feature refinement. Empirical studies on various datasets, under both online label shift and generalized label shift conditions, underscore the effectiveness and robustness of OLS-OFU, especially in cases of domain shifts.  ( 2 min )

The current graph neural network (GNN) systems have established a clear trend of not showing training accuracy results, and directly or indirectly relying on smaller datasets for evaluations majorly. Our in-depth analysis shows that it leads to a chain of pitfalls in the system design and evaluation process, questioning the practicality of many of the proposed system optimizations, and affecting conclusions and lessons learned. We analyze many single-GPU systems and show the fundamental impact of these pitfalls. We further develop hypotheses, recommendations, and evaluation methodologies, and provide future directions. Finally, a new reference system is developed to establish a new line of optimizations rooted in solving the system-design pitfalls efficiently and practically. The proposed design can productively be integrated into prior works, thereby truly advancing the state-of-the-art.  ( 2 min )

We present a novel graph transformer framework, HAMLET, designed to address the challenges in solving partial differential equations (PDEs) using neural networks. The framework uses graph transformers with modular input encoders to directly incorporate differential equation information into the solution process. This modularity enhances parameter correspondence control, making HAMLET adaptable to PDEs of arbitrary geometries and varied input formats. Notably, HAMLET scales effectively with increasing data complexity and noise, showcasing its robustness. HAMLET is not just tailored to a single type of physical simulation, but can be applied across various domains. Moreover, it boosts model resilience and performance, especially in scenarios with limited data. We demonstrate, through extensive experiments, that our framework is capable of outperforming current techniques for PDEs.  ( 2 min )

Existing work on trustworthy machine learning (ML) often concentrates on individual aspects of trust, such as fairness or privacy. Additionally, many techniques overlook the distinction between those who train ML models and those responsible for assessing their trustworthiness. To address these issues, we propose a framework that views trustworthy ML as a multi-objective multi-agent optimization problem. This naturally lends itself to a game-theoretic formulation we call regulation games. We illustrate a particular game instance, the SpecGame in which we model the relationship between an ML model builder and fairness and privacy regulators. Regulators wish to design penalties that enforce compliance with their specification, but do not want to discourage builders from participation. Seeking such socially optimal (i.e., efficient for all agents) solutions to the game, we introduce ParetoPlay. This novel equilibrium search algorithm ensures that agents remain on the Pareto frontier of their objectives and avoids the inefficiencies of other equilibria. Simulating SpecGame through ParetoPlay can provide policy guidance for ML Regulation. For instance, we show that for a gender classification application, regulators can enforce a differential privacy budget that is on average 4.0 lower if they take the initiative to specify their desired guarantee first.  ( 2 min )

Order Picker Routing is a critical issue in Warehouse Operations Management. Due to the complexity of the problem and the need for quick solutions, suboptimal algorithms are frequently employed in practice. However, Reinforcement Learning offers an appealing alternative to traditional heuristics, potentially outperforming existing methods in terms of speed and accuracy. We introduce an attention based neural network for modeling picker tours, which is trained using Reinforcement Learning. Our method is evaluated against existing heuristics across a range of problem parameters to demonstrate its efficacy. A key advantage of our proposed method is its ability to offer an option to reduce the perceived complexity of routes.  ( 2 min )

This paper considers the contextual multi-armed bandit (CMAB) problem with fairness and privacy guarantees in a federated environment. We consider merit-based exposure as the desired fair outcome, which provides exposure to each action in proportion to the reward associated. We model the algorithm's effectiveness using fairness regret, which captures the difference between fair optimal policy and the policy output by the algorithm. Applying fair CMAB algorithm to each agent individually leads to fairness regret linear in the number of agents. We propose that collaborative -- federated learning can be more effective and provide the algorithm Fed-FairX-LinUCB that also ensures differential privacy. The primary challenge in extending the existing privacy framework is designing the communication protocol for communicating required information across agents. A naive protocol can either lead to weaker privacy guarantees or higher regret. We design a novel communication protocol that allows for (i) Sub-linear theoretical bounds on fairness regret for Fed-FairX-LinUCB and comparable bounds for the private counterpart, Priv-FairX-LinUCB (relative to single-agent learning), (ii) Effective use of privacy budget in Priv-FairX-LinUCB. We demonstrate the efficacy of our proposed algorithm with extensive simulations-based experiments. We show that both Fed-FairX-LinUCB and Priv-FairX-LinUCB achieve near-optimal fairness regret.  ( 2 min )

Adaptive gradient optimizers like Adam(W) are the default training algorithms for many deep learning architectures, such as transformers. Their diagonal preconditioner is based on the gradient outer product which is incorporated into the parameter update via a square root. While these methods are often motivated as approximate second-order methods, the square root represents a fundamental difference. In this work, we investigate how the behavior of adaptive methods changes when we remove the root, i.e. strengthen their second-order motivation. Surprisingly, we find that such square-root-free adaptive methods close the generalization gap to SGD on convolutional architectures, while maintaining their root-based counterpart's performance on transformers. The second-order perspective also has practical benefits for the development of adaptive methods with non-diagonal preconditioner. In contrast to root-based counterparts like Shampoo, they do not require numerically unstable matrix square roots and therefore work well in low precision, which we demonstrate empirically. This raises important questions regarding the currently overlooked role of adaptivity for the success of adaptive methods.  ( 2 min )

Using unlabeled data to regularize the machine learning models has demonstrated promise for improving safety and reliability in detecting out-of-distribution (OOD) data. Harnessing the power of unlabeled in-the-wild data is non-trivial due to the heterogeneity of both in-distribution (ID) and OOD data. This lack of a clean set of OOD samples poses significant challenges in learning an optimal OOD classifier. Currently, there is a lack of research on formally understanding how unlabeled data helps OOD detection. This paper bridges the gap by introducing a new learning framework SAL (Separate And Learn) that offers both strong theoretical guarantees and empirical effectiveness. The framework separates candidate outliers from the unlabeled data and then trains an OOD classifier using the candidate outliers and the labeled ID data. Theoretically, we provide rigorous error bounds from the lens of separability and learnability, formally justifying the two components in our algorithm. Our theory shows that SAL can separate the candidate outliers with small error rates, which leads to a generalization guarantee for the learned OOD classifier. Empirically, SAL achieves state-of-the-art performance on common benchmarks, reinforcing our theoretical insights. Code is publicly available at https://github.com/deeplearning-wisc/sal.  ( 2 min )

This study proposes the use of Machine Learning models to predict the early onset of sepsis using deidentified clinical data from Montefiore Medical Center in Bronx, NY, USA. A supervised learning approach was adopted, wherein an XGBoost model was trained utilizing 80\% of the train dataset, encompassing 107 features (including the original and derived features). Subsequently, the model was evaluated on the remaining 20\% of the test data. The model was validated on prospective data that was entirely unseen during the training phase. To assess the model's performance at the individual patient level and timeliness of the prediction, a normalized utility score was employed, a widely recognized scoring methodology for sepsis detection, as outlined in the PhysioNet Sepsis Challenge paper. Metrics such as F1 Score, Sensitivity, Specificity, and Flag Rate were also devised. The model achieved a normalized utility score of 0.494 on test data and 0.378 on prospective data at threshold 0.3. The F1 scores were 80.8\% and 67.1\% respectively for the test data and the prospective data for the same threshold, highlighting its potential to be integrated into clinical decision-making processes effectively. These results bear testament to the model's robust predictive capabilities and its potential to substantially impact clinical decision-making processes.  ( 2 min )

In this paper, we present Partially Stochastic Infinitely Deep Bayesian Neural Networks, a novel family of architectures that integrates partial stochasticity into the framework of infinitely deep neural networks. Our new class of architectures is designed to improve the limitations of existing architectures around computational efficiency at training and inference time. To do this, we leverage the advantages of partial stochasticity in the infinite-depth limit which include the benefits of full stochasticity e.g. robustness, uncertainty quantification, and memory efficiency, whilst improving their limitations around computational efficiency at training and inference time. We present a variety of architectural configurations, offering flexibility in network design including different methods for weight partition. We also provide mathematical guarantees on the expressivity of our models by establishing that our network family qualifies as Universal Conditional Distribution Approximators. Lastly, empirical evaluations across multiple tasks show that our proposed architectures achieve better downstream task performance and uncertainty quantification than their counterparts while being significantly more efficient.  ( 2 min )

Deep learning methods are transforming research, enabling new techniques, and ultimately leading to new discoveries. As the demand for more capable AI models continues to grow, we are now entering an era of Trillion Parameter Models (TPM), or models with more than a trillion parameters -- such as Huawei's PanGu-$\Sigma$. We describe a vision for the ecosystem of TPM users and providers that caters to the specific needs of the scientific community. We then outline the significant technical challenges and open problems in system design for serving TPMs to enable scientific research and discovery. Specifically, we describe the requirements of a comprehensive software stack and interfaces to support the diverse and flexible requirements of researchers.  ( 2 min )

Autonomous agents trained using deep reinforcement learning (RL) often lack the ability to successfully generalise to new environments, even when they share characteristics with the environments they have encountered during training. In this work, we investigate how the sampling of individual environment instances, or levels, affects the zero-shot generalisation (ZSG) ability of RL agents. We discover that, for deep actor-critic architectures sharing their base layers, prioritising levels according to their value loss minimises the mutual information between the agent's internal representation and the set of training levels in the generated training data. This provides a novel theoretical justification for the implicit regularisation achieved by certain adaptive sampling strategies. We then turn our attention to unsupervised environment design (UED) methods, which have more control over the data generation mechanism. We find that existing UED methods can significantly shift the training distribution, which translates to low ZSG performance. To prevent both overfitting and distributional shift, we introduce in-context environment design (ICED). ICED generates levels using a variational autoencoder trained over an initial set of level parameters, reducing distributional shift, and achieves significant improvements in ZSG over adaptive level sampling strategies and UED methods.  ( 2 min )

This paper investigates the information encoded in the embeddings of large language models (LLMs). We conduct simulations to analyze the representation entropy and discover a power law relationship with model sizes. Building upon this observation, we propose a theory based on (conditional) entropy to elucidate the scaling law phenomenon. Furthermore, we delve into the auto-regressive structure of LLMs and examine the relationship between the last token and previous context tokens using information theory and regression techniques. Specifically, we establish a theoretical connection between the information gain of new tokens and ridge regression. Additionally, we explore the effectiveness of Lasso regression in selecting meaningful tokens, which sometimes outperforms the closely related attention weights. Finally, we conduct controlled experiments, and find that information is distributed across tokens, rather than being concentrated in specific "meaningful" tokens alone.  ( 2 min )

Estimating and disentangling epistemic uncertainty (uncertainty that can be reduced with more training data) and aleatoric uncertainty (uncertainty that is inherent to the task at hand) is critically important when applying machine learning (ML) to high-stakes applications such as medical imaging and weather forecasting. Conditional diffusion models' breakthrough ability to accurately and efficiently sample from the posterior distribution of a dataset now makes uncertainty estimation conceptually straightforward: One need only train and sample from a large ensemble of diffusion models. Unfortunately, training such an ensemble becomes computationally intractable as the complexity of the model architecture grows. In this work we introduce a new approach to ensembling, hyper-diffusion, which allows one to accurately estimate epistemic and aleatoric uncertainty with a single model. Unlike existing Monte Carlo dropout based single-model ensembling methods, hyper-diffusion offers the same prediction accuracy as multi-model ensembles. We validate our approach on two distinct tasks: x-ray computed tomography (CT) reconstruction and weather temperature forecasting.  ( 2 min )

Learning from human preference has been considered key to aligning Large Language Models (LLMs) with human values. However, contrary to popular belief, our preliminary study reveals that reward models trained on human preference datasets tend to give higher scores to long off-topic responses than short on-topic ones. Motivated by this observation, we explore a preference-free approach utilizing `relevance' as a key objective for alignment. On our first attempt, we find that the relevance score obtained by a retriever alone is vulnerable to reward hacking, i.e., overoptimizing to undesired shortcuts, when we utilize the score as a reward for reinforcement learning. To mitigate it, we integrate effective inductive biases into the vanilla relevance to regularize each other, resulting in a mixture of reward functions: Regularized Relevance Reward ($R^3$). $R^3$ significantly improves performance on preference benchmarks by providing a robust reward signal. Notably, $R^3$ does not require any human preference datasets (i.e., preference-free), outperforming open-source reward models in improving human preference. Our analysis demonstrates that $R^3$ has advantages in elevating human preference while minimizing its side effects. Finally, we show the generalizability of $R^3$, consistently improving instruction-tuned models in various backbones and sizes without additional dataset cost. Our code is available at https://github.com/naver-ai/RRR.  ( 2 min )

In this work, a tensor completion problem is studied, which aims to perfectly recover the tensor from partial observations. Existing theoretical guarantee requires the involved transform to be orthogonal, which hinders its applications. In this paper, jumping out of the constraints of isotropy or self-adjointness, the theoretical guarantee of exact tensor completion with arbitrary linear transforms is established. To that end, we define a new tensor-tensor product, which leads us to a new definition of the tensor nuclear norm. Equipped with these tools, an efficient algorithm based on alternating direction of multipliers is designed to solve the transformed tensor completion program and the theoretical bound is obtained. Our model and proof greatly enhance the flexibility of tensor completion and extensive experiments validate the superiority of the proposed method.  ( 2 min )

Developing accurate models for traffic trajectory predictions is crucial for achieving fully autonomous driving. Various deep neural network models have been employed to address this challenge, but their black-box nature hinders transparency and debugging capabilities in a deployed system. Glass-box models offer a solution by providing full interpretability through methods like \ac{GAM}. In this study, we evaluate an efficient additive model called \ac{EBM} for traffic prediction on three popular mixed traffic datasets: \ac{SDD}, \ac{InD}, and Argoverse. Our results show that the \ac{EBM} models perform competitively in predicting pedestrian destinations within \ac{SDD} and \ac{InD} while providing modest predictions for vehicle-dominant Argoverse dataset. Additionally, our transparent trained models allow us to analyse feature importance and interactions, as well as provide qualitative examples of predictions explanation. The full training code will be made public upon publication.  ( 2 min )

We give quantitative estimates for the rate of convergence of Riemannian stochastic gradient descent (RSGD) to Riemannian gradient flow and to a diffusion process, the so-called Riemannian stochastic modified flow (RSMF). Using tools from stochastic differential geometry we show that, in the small learning rate regime, RSGD can be approximated by the solution to the RSMF driven by an infinite-dimensional Wiener process. The RSMF accounts for the random fluctuations of RSGD and, thereby, increases the order of approximation compared to the deterministic Riemannian gradient flow. The RSGD is build using the concept of a retraction map, that is, a cost efficient approximation of the exponential map, and we prove quantitative bounds for the weak error of the diffusion approximation under assumptions on the retraction map, the geometry of the manifold, and the random estimators of the gradient.  ( 2 min )

Decentralized Federated Learning (DFL) has received significant recent research attention, capturing settings where both model updates and model aggregations -- the two key FL processes -- are conducted by the clients. In this work, we propose Decentralized Sporadic Federated Learning ($\texttt{DSpodFL}$), a DFL methodology which generalizes the notion of sporadicity in both of these processes, modeling the impact of different forms of heterogeneity that manifest in realistic DFL settings. $\texttt{DSpodFL}$ unifies many of the prominent decentralized optimization methods, e.g., distributed gradient descent (DGD), randomized gossip (RG), and decentralized federated averaging (DFedAvg), under a single modeling framework. We analytically characterize the convergence behavior of $\texttt{DSpodFL}$, showing, among other insights, that we can match a geometric convergence rate to a finite optimality gap under more general assumptions than in existing works. Through experiments, we demonstrate that $\texttt{DSpodFL}$ achieves significantly improved training speeds and robustness to variations in system parameters compared to the state-of-the-art.  ( 2 min )

Tree ensemble algorithms as RandomForest and GradientBoosting are currently the dominant methods for modeling discrete or tabular data, however, they are unable to perform a hierarchical representation learning from raw data as NeuralNetworks does thanks to its multi-layered structure, which is a key feature for DeepLearning problems and modeling unstructured data. This limitation is due to the fact that tree algorithms can not be trained with back-propagation because of their mathematical nature. However, in this work, we demonstrate that the mathematical formulation of bagging and boosting can be combined together to define a graph-structured-tree-ensemble algorithm with a distributed representation learning process between trees naturally (without using back-propagation). We call this novel approach Distributed Gradient Boosting Forest (DGBF) and we demonstrate that both RandomForest and GradientBoosting can be expressed as particular graph architectures of DGBT. Finally, we see that the distributed learning outperforms both RandomForest and GradientBoosting in 7 out of 9 datasets.  ( 2 min )

Graph generation has been dominated by autoregressive models due to their simplicity and effectiveness, despite their sensitivity to ordering. Yet diffusion models have garnered increasing attention, as they offer comparable performance while being permutation-invariant. Current graph diffusion models generate graphs in a one-shot fashion, but they require extra features and thousands of denoising steps to achieve optimal performance. We introduce PARD, a Permutation-invariant Auto Regressive Diffusion model that integrates diffusion models with autoregressive methods. PARD harnesses the effectiveness and efficiency of the autoregressive model while maintaining permutation invariance without ordering sensitivity. Specifically, we show that contrary to sets, elements in a graph are not entirely unordered and there is a unique partial order for nodes and edges. With this partial order, PARD generates a graph in a block-by-block, autoregressive fashion, where each block's probability is conditionally modeled by a shared diffusion model with an equivariant network. To ensure efficiency while being expressive, we further propose a higher-order graph transformer, which integrates transformer with PPGN. Like GPT, we extend the higher-order graph transformer to support parallel training of all blocks. Without any extra features, PARD achieves state-of-the-art performance on molecular and non-molecular datasets, and scales to large datasets like MOSES containing 1.9M molecules.  ( 2 min )

Recent work in deep learning has shown strong empirical and theoretical evidence of an implicit low-rank bias: weight matrices in deep networks tend to be approximately low-rank and removing relatively small singular values during training or from available trained models may significantly reduce model size while maintaining or even improving model performance. However, the majority of the theoretical investigations around low-rank bias in neural networks deal with oversimplified deep linear networks. In this work, we consider general networks with nonlinear activations and the weight decay parameter, and we show the presence of an intriguing neural rank collapse phenomenon, connecting the low-rank bias of trained networks with networks' neural collapse properties: as the weight decay parameter grows, the rank of each layer in the network decreases proportionally to the within-class variability of the hidden-space embeddings of the previous layers. Our theoretical findings are supported by a range of experimental evaluations illustrating the phenomenon.  ( 2 min )

Correlation clustering is a powerful unsupervised learning paradigm that supports positive and negative similarities. In this paper, we assume the similarities are not known in advance. Instead, we employ active learning to iteratively query similarities in a cost-efficient way. In particular, we develop three effective acquisition functions to be used in this setting. One is based on the notion of inconsistency (i.e., when similarities violate the transitive property). The remaining two are based on information-theoretic quantities, i.e., entropy and information gain.  ( 2 min )

Gaussian mixture distributions are commonly employed to represent general probability distributions. Despite the importance of using Gaussian mixtures for uncertainty estimation, the entropy of a Gaussian mixture cannot be analytically calculated. Notably, Gal and Ghahramani [2016] proposed the approximate entropy that is the sum of the entropies of unimodal Gaussian distributions. This approximation is easy to analytically calculate regardless of dimension, but there lack theoretical guarantees. In this paper, we theoretically analyze the approximation error between the true entropy and the approximate one to reveal when this approximation works effectively. This error is controlled by how far apart each Gaussian component of the Gaussian mixture. To measure such separation, we introduce the ratios of the distances between the means to the sum of the variances of each Gaussian component of the Gaussian mixture, and we reveal that the error converges to zero as the ratios tend to infinity. This convergence situation is more likely to occur in higher dimensional spaces. Therefore, our results provide a guarantee that this approximation works well in higher dimension problems, particularly in scenarios such as neural networks that involve a large number of weights.  ( 2 min )

Temporal data are increasingly prevalent in modern data science. A fundamental question is whether two time-series are related or not. Existing approaches often have limitations, such as relying on parametric assumptions, detecting only linear associations, and requiring multiple tests and corrections. While many non-parametric and universally consistent dependence measures have recently been proposed, directly applying them to temporal data can inflate the p-value and result in invalid test. To address these challenges, this paper introduces the temporal dependence statistic with block permutation to test independence between temporal data. Under proper assumptions, the proposed procedure is asymptotically valid and universally consistent for testing independence between stationary time-series, and capable of estimating the optimal dependence lag that maximizes the dependence. Notably, it is compatible with a rich family of distance and kernel based dependence measures, eliminates the need for multiple testing, and demonstrates superior power in multivariate, low sample size, and nonlinear settings. An analysis of neural connectivity with fMRI data reveals various temporal dependence among signals within the visual network and default mode network.  ( 2 min )

Machine learning algorithms are becoming integrated into more and more high-stakes decision-making processes, such as in social welfare issues. Due to the need of mitigating the potentially disparate impacts from algorithmic predictions, many approaches have been proposed in the emerging area of fair machine learning. However, the fundamental problem of characterizing Bayes-optimal classifiers under various group fairness constraints has only been investigated in some special cases. Based on the classical Neyman-Pearson argument (Neyman and Pearson, 1933; Shao, 2003) for optimal hypothesis testing, this paper provides a unified framework for deriving Bayes-optimal classifiers under group fairness. This enables us to propose a group-based thresholding method we call FairBayes, that can directly control disparity, and achieve an essentially optimal fairness-accuracy tradeoff. These advantages are supported by thorough experiments.  ( 2 min )

In recent years, attention-based transformers have achieved tremendous success across a variety of disciplines including natural languages. A key ingredient behind their success is the generative pretraining procedure, during which these models are trained on a large text corpus in an auto-regressive manner. To shed light on this phenomenon, we propose a new framework that allows both theory and systematic experiments to study the sequential modeling capabilities of transformers through the lens of Markov chains. Inspired by the Markovianity of natural languages, we model the data as a Markovian source and utilize this framework to systematically study the interplay between the data-distributional properties, the transformer architecture, the learnt distribution, and the final model performance. In particular, we theoretically characterize the loss landscape of single-layer transformers and show the existence of global minima and bad local minima contingent upon the specific data characteristics and the transformer architecture. Backed by experiments, we demonstrate that our theoretical findings are in congruence with the empirical results. We further investigate these findings in the broader context of higher order Markov chains and deeper architectures, and outline open problems in this arena. Code is available at \url{https://github.com/Bond1995/Markov}.  ( 2 min )

Scaling laws provide important insights that can guide the design of large language models (LLMs). Existing work has primarily focused on studying scaling laws for pretraining (upstream) loss. However, in transfer learning settings, in which LLMs are pretrained on an unsupervised dataset and then finetuned on a downstream task, we often also care about the downstream performance. In this work, we study the scaling behavior in a transfer learning setting, where LLMs are finetuned for machine translation tasks. Specifically, we investigate how the choice of the pretraining data and its size affect downstream performance (translation quality) as judged by two metrics: downstream cross-entropy and BLEU score. Our experiments indicate that the size of the finetuning dataset and the distribution alignment between the pretraining and downstream data significantly influence the scaling behavior. With sufficient alignment, both downstream cross-entropy and BLEU score improve monotonically with more pretraining data. In such cases, we show that it is possible to predict the downstream BLEU score with good accuracy using a log-law. However, there are also cases where moderate misalignment causes the BLEU score to fluctuate or get worse with more pretraining, whereas downstream cross-entropy monotonically improves. By analyzing these observations, we provide new practical insights for choosing appropriate pretraining data.  ( 2 min )

This paper introduces and investigates the utilization of maximum and average distance correlations for multivariate independence testing. We characterize their consistency properties in high-dimensional settings with respect to the number of marginally dependent dimensions, assess the advantages of each test statistic, examine their respective null distributions, and present a fast chi-square-based testing procedure. The resulting tests are non-parametric and applicable to both Euclidean distance and the Gaussian kernel as the underlying metric. To better understand the practical use cases of the proposed tests, we evaluate the empirical performance of the maximum distance correlation, average distance correlation, and the original distance correlation across various multivariate dependence scenarios, as well as conduct a real data experiment to test the presence of various cancer types and peptide levels in human plasma.  ( 2 min )

Shapley values have emerged as a foundational tool in machine learning (ML) for elucidating model decision-making processes. Despite their widespread adoption and unique ability to satisfy essential explainability axioms, computational challenges persist in their estimation when ($i$) evaluating a model over all possible subset of input feature combinations, ($ii$) estimating model marginals, and ($iii$) addressing variability in explanations. We introduce a novel, self-explaining method that simplifies the computation of Shapley values significantly, requiring only a single forward pass. Recognizing the deterministic treatment of Shapley values as a limitation, we explore incorporating a probabilistic framework to capture the inherent uncertainty in explanations. Unlike alternatives, our technique does not rely directly on the observed data space to estimate marginals; instead, it uses adaptable baseline values derived from a latent, feature-specific embedding space, generated by a novel masked neural network architecture. Evaluations on simulated and real datasets underscore our technique's robust predictive and explanatory performance.  ( 2 min )

This paper proposes a methodology for discovering meaningful properties in data by exploring the latent space of unsupervised deep generative models. We combine manipulation of individual latent variables to extreme values with methods inspired by causal inference into an approach we call causal disentanglement with extreme values (CDEV) and show that this method yields insights for model interpretability. With this, we can test for what properties of unknown data the model encodes as meaningful, using it to glean insight into the communication system of sperm whales (Physeter macrocephalus), one of the most intriguing and understudied animal communication systems. The network architecture used has been shown to learn meaningful representations of speech; here, it is used as a learning mechanism to decipher the properties of another vocal communication system in which case we have no ground truth. The proposed methodology suggests that sperm whales encode information using the number of clicks in a sequence, the regularity of their timing, and audio properties such as the spectral mean and the acoustic regularity of the sequences. Some of these findings are consistent with existing hypotheses, while others are proposed for the first time. We also argue that our models uncover rules that govern the structure of units in the communication system and apply them while generating innovative data not shown during training. This paper suggests that an interpretation of the outputs of deep neural networks with causal inference methodology can be a viable strategy for approaching data about which little is known and presents another case of how deep learning can limit the hypothesis space. Finally, the proposed approach can be extended to other architectures and datasets.  ( 3 min )

The multi-head attention layer is one of the key components of the transformer architecture that sets it apart from traditional feed-forward models. Given a sequence length $k$, attention matrices $\mathbf{\Theta}_1,\ldots,\mathbf{\Theta}_m\in\mathbb{R}^{d\times d}$, and projection matrices $\mathbf{W}_1,\ldots,\mathbf{W}_m\in\mathbb{R}^{d\times d}$, the corresponding multi-head attention layer $F: \mathbb{R}^{k\times d}\to \mathbb{R}^{k\times d}$ transforms length-$k$ sequences of $d$-dimensional tokens $\mathbf{X}\in\mathbb{R}^{k\times d}$ via $F(\mathbf{X}) \triangleq \sum^m_{i=1} \mathrm{softmax}(\mathbf{X}\mathbf{\Theta}_i\mathbf{X}^\top)\mathbf{X}\mathbf{W}_i$. In this work, we initiate the study of provably learning a multi-head attention layer from random examples and give the first nontrivial upper and lower bounds for this problem: - Provided $\{\mathbf{W}_i, \mathbf{\Theta}_i\}$ satisfy certain non-degeneracy conditions, we give a $(dk)^{O(m^3)}$-time algorithm that learns $F$ to small error given random labeled examples drawn uniformly from $\{\pm 1\}^{k\times d}$. - We prove computational lower bounds showing that in the worst case, exponential dependence on $m$ is unavoidable. We focus on Boolean $\mathbf{X}$ to mimic the discrete nature of tokens in large language models, though our techniques naturally extend to standard continuous settings, e.g. Gaussian. Our algorithm, which is centered around using examples to sculpt a convex body containing the unknown parameters, is a significant departure from existing provable algorithms for learning feedforward networks, which predominantly exploit algebraic and rotation invariance properties of the Gaussian distribution. In contrast, our analysis is more flexible as it primarily relies on various upper and lower tail bounds for the input distribution and "slices" thereof.  ( 2 min )

Random projections or sketches of gradients and Hessian vector products play an essential role in applications where one needs to store many such vectors while retaining accurate information about their relative geometry. Two important scenarios are training data attribution (tracing a model's behavior to the training data), where one needs to store a gradient for each training example, and the study of the spectrum of the Hessian (to analyze the training dynamics), where one needs to store multiple Hessian vector products. While sketches that use dense matrices are easy to implement, they are memory bound and cannot be scaled to modern neural networks. Motivated by work on the intrinsic dimension of neural networks, we propose and study a design space for scalable sketching algorithms. We demonstrate the efficacy of our approach in three applications: training data attribution, the analysis of the Hessian spectrum and the computation of the intrinsic dimension when fine-tuning pre-trained language models.  ( 2 min )

Large language models (LLMs) have recently gained much popularity due to their surprising ability at generating human-like English sentences. LLMs are essentially predictors, estimating the probability of a sequence of words given the past. Therefore, it is natural to evaluate their performance from a universal prediction perspective. In order to do that fairly, we introduce the notion of batch regret as a modification of the classical average regret, and we study its asymptotical value for add-constant predictors, in the case of memoryless sources and first-order Markov sources.  ( 2 min )

Availability attacks can prevent the unauthorized use of private data and commercial datasets by generating imperceptible noise and making unlearnable examples before release. Ideally, the obtained unlearnability prevents algorithms from training usable models. When supervised learning (SL) algorithms have failed, a malicious data collector possibly resorts to contrastive learning (CL) algorithms to bypass the protection. Through evaluation, we have found that most of the existing methods are unable to achieve both supervised and contrastive unlearnability, which poses risks to data protection. Different from recent methods based on contrastive error minimization, we employ contrastive-like data augmentations in supervised error minimization or maximization frameworks to obtain attacks effective for both SL and CL. Our proposed AUE and AAP attacks achieve state-of-the-art worst-case unlearnability across SL and CL algorithms with less computation consumption, showcasing prospects in real-world applications.  ( 2 min )

The Adaptive Momentum Estimation (Adam) algorithm is highly effective in training various deep learning tasks. Despite this, there's limited theoretical understanding for Adam, especially when focusing on its vanilla form in non-convex smooth scenarios with potential unbounded gradients and affine variance noise. In this paper, we study vanilla Adam under these challenging conditions. We introduce a comprehensive noise model which governs affine variance noise, bounded noise and sub-Gaussian noise. We show that Adam can find a stationary point with a $\mathcal{O}(\text{poly}(\log T)/\sqrt{T})$ rate in high probability under this general noise model where $T$ denotes total number iterations, matching the lower rate of stochastic first-order algorithms up to logarithm factors. More importantly, we reveal that Adam is free of tuning step-sizes with any problem-parameters, yielding a better adaptation property than the Stochastic Gradient Descent under the same conditions. We also provide a probabilistic convergence result for Adam under a generalized smooth condition which allows unbounded smoothness parameters and has been illustrated empirically to more accurately capture the smooth property of many practical objective functions.  ( 2 min )

Constant (naive) imputation is still widely used in practice as this is a first easy-to-use technique to deal with missing data. Yet, this simple method could be expected to induce a large bias for prediction purposes, as the imputed input may strongly differ from the true underlying data. However, recent works suggest that this bias is low in the context of high-dimensional linear predictors when data is supposed to be missing completely at random (MCAR). This paper completes the picture for linear predictors by confirming the intuition that the bias is negligible and that surprisingly naive imputation also remains relevant in very low dimension.To this aim, we consider a unique underlying random features model, which offers a rigorous framework for studying predictive performances, whilst the dimension of the observed features varies.Building on these theoretical results, we establish finite-sample bounds on stochastic gradient (SGD) predictors applied to zero-imputed data, a strategy particularly well suited for large-scale learning.If the MCAR assumption appears to be strong, we show that similar favorable behaviors occur for more complex missing data scenarios.  ( 2 min )

We introduce a new framework for studying meta-learning methods using PAC-Bayesian theory. Its main advantage over previous work is that it allows for more flexibility in how the transfer of knowledge between tasks is realized. For previous approaches, this could only happen indirectly, by means of learning prior distributions over models. In contrast, the new generalization bounds that we prove express the process of meta-learning much more directly as learning the learning algorithm that should be used for future tasks. The flexibility of our framework makes it suitable to analyze a wide range of meta-learning mechanisms and even design new mechanisms. Other than our theoretical contributions we also show empirically that our framework improves the prediction quality in practical meta-learning mechanisms.  ( 2 min )

Recent studies have highlighted the benefits of generating multiple synthetic datasets for supervised learning, from increased accuracy to more effective model selection and uncertainty estimation. These benefits have clear empirical support, but the theoretical understanding of them is currently very light. We seek to increase the theoretical understanding by deriving bias-variance decompositions for several settings of using multiple synthetic datasets. Our theory predicts multiple synthetic datasets to be especially beneficial for high-variance downstream predictors, and yields a simple rule of thumb to select the appropriate number of synthetic datasets in the case of mean-squared error and Brier score. We investigate how our theory works in practice by evaluating the performance of an ensemble over many synthetic datasets for several real datasets and downstream predictors. The results follow our theory, showing that our insights are also practically relevant.  ( 2 min )

Online controlled experiments are a crucial tool to allow for confident decision-making in technology companies. A North Star metric is defined (such as long-term revenue or user retention), and system variants that statistically significantly improve on this metric in an A/B-test can be considered superior. North Star metrics are typically delayed and insensitive. As a result, the cost of experimentation is high: experiments need to run for a long time, and even then, type-II errors (i.e. false negatives) are prevalent. We propose to tackle this by learning metrics from short-term signals that directly maximise the statistical power they harness with respect to the North Star. We show that existing approaches are prone to overfitting, in that higher average metric sensitivity does not imply improved type-II errors, and propose to instead minimise the $p$-values a metric would have produced on a log of past experiments. We collect such datasets from two social media applications with over 160 million Monthly Active Users each, totalling over 153 A/B-pairs. Empirical results show that we are able to increase statistical power by up to 78% when using our learnt metrics stand-alone, and by up to 210% when used in tandem with the North Star. Alternatively, we can obtain constant statistical power at a sample size that is down to 12% of what the North Star requires, significantly reducing the cost of experimentation.  ( 2 min )

Bilevel optimization has seen an increasing presence in various domains of applications. In this work, we propose a framework for solving bilevel optimization problems where variables of both lower and upper level problems are constrained on Riemannian manifolds. We provide several hypergradient estimation strategies on manifolds and study their estimation error. We provide convergence and complexity analysis for the proposed hypergradient descent algorithm on manifolds. We also extend the developments to stochastic bilevel optimization and to the use of general retraction. We showcase the utility of the proposed framework on various applications.  ( 2 min )

Modern surveys with large sample sizes and growing mixed-type questionnaires require robust and scalable analysis methods. In this work, we consider recovering a mixed dataframe matrix, obtained by complex survey sampling, with entries following different canonical exponential distributions and subject to heterogeneous missingness. To tackle this challenging task, we propose a two-stage procedure: in the first stage, we model the entry-wise missing mechanism by logistic regression, and in the second stage, we complete the target parameter matrix by maximizing a weighted log-likelihood with a low-rank constraint. We propose a fast and scalable estimation algorithm that achieves sublinear convergence, and the upper bound for the estimation error of the proposed method is rigorously derived. Experimental results support our theoretical claims, and the proposed estimator shows its merits compared to other existing methods. The proposed method is applied to analyze the National Health and Nutrition Examination Survey data.  ( 2 min )

Gaussian processes are a widely embraced technique for regression and classification due to their good prediction accuracy, analytical tractability and built-in capabilities for uncertainty quantification. However, they suffer from the curse of dimensionality whenever the number of variables increases. This challenge is generally addressed by assuming additional structure in theproblem, the preferred options being either additivity or low intrinsic dimensionality. Our contribution for high-dimensional Gaussian process modeling is to combine them with a multi-fidelity strategy, showcasing the advantages through experiments on synthetic functions and datasets.  ( 2 min )

We consider a high-dimensional stochastic contextual linear bandit problem when the parameter vector is $s_{0}$-sparse and the decision maker is subject to privacy constraints under both central and local models of differential privacy. We present PrivateLASSO, a differentially private LASSO bandit algorithm. PrivateLASSO is based on two sub-routines: (i) a sparse hard-thresholding-based privacy mechanism and (ii) an episodic thresholding rule for identifying the support of the parameter $\theta$. We prove minimax private lower bounds and establish privacy and utility guarantees for PrivateLASSO for the central model under standard assumptions.  ( 2 min )

Computing eigenvalue decomposition (EVD) of a given linear operator, or finding its leading eigenvalues and eigenfunctions, is a fundamental task in many machine learning and scientific computing problems. For high-dimensional eigenvalue problems, training neural networks to parameterize the eigenfunctions is considered as a promising alternative to the classical numerical linear algebra techniques. This paper proposes a new optimization framework based on the low-rank approximation characterization of a truncated singular value decomposition, accompanied by new techniques called nesting for learning the top-$L$ singular values and singular functions in the correct order. The proposed method promotes the desired orthogonality in the learned functions implicitly and efficiently via an unconstrained optimization formulation, which is easy to solve with off-the-shelf gradient-based optimization algorithms. We demonstrate the effectiveness of the proposed optimization framework for use cases in computational physics and machine learning.  ( 2 min )

We address the problem of learning Granger causality from asynchronous, interdependent, multi-type event sequences. In particular, we are interested in discovering instance-level causal structures in an unsupervised manner. Instance-level causality identifies causal relationships among individual events, providing more fine-grained information for decision-making. Existing work in the literature either requires strong assumptions, such as linearity in the intensity function, or heuristically defined model parameters that do not necessarily meet the requirements of Granger causality. We propose Instance-wise Self-Attentive Hawkes Processes (ISAHP), a novel deep learning framework that can directly infer the Granger causality at the event instance level. ISAHP is the first neural point process model that meets the requirements of Granger causality. It leverages the self-attention mechanism of the transformer to align with the principles of Granger causality. We empirically demonstrate that ISAHP is capable of discovering complex instance-level causal structures that cannot be handled by classical models. We also show that ISAHP achieves state-of-the-art performance in proxy tasks involving type-level causal discovery and instance-level event type prediction.  ( 2 min )

The \textit{local learning coefficient} (LLC) is a principled way of quantifying model complexity, originally derived in the context of Bayesian statistics using singular learning theory (SLT). Several methods are known for numerically estimating the local learning coefficient, but so far these methods have not been extended to the scale of modern deep learning architectures or data sets. Using a method developed in {\tt arXiv:2308.12108 [stat.ML]} we empirically show how the LLC may be measured accurately and self-consistently for deep linear networks (DLNs) up to 100M parameters. We also show that the estimated LLC has the rescaling invariance that holds for the theoretical quantity.  ( 2 min )

Discrete diffusion models have seen a surge of attention with applications on naturally discrete data such as language and graphs. Although discrete-time discrete diffusion has been established for a while, only recently Campbell et al. (2022) introduced the first framework for continuous-time discrete diffusion. However, their training and sampling processes differ significantly from the discrete-time version, necessitating nontrivial approximations for tractability. In this paper, we first present a series of mathematical simplifications of the variational lower bound that enable more accurate and easy-to-optimize training for discrete diffusion. In addition, we derive a simple formulation for backward denoising that enables exact and accelerated sampling, and importantly, an elegant unification of discrete-time and continuous-time discrete diffusion. Thanks to simpler analytical formulations, both forward and now also backward probabilities can flexibly accommodate any noise distribution, including different noise distributions for multi-element objects. Experiments show that our proposed USD3 (for Unified Simplified Discrete Denoising Diffusion) outperform all SOTA baselines on established datasets. We open-source our unified code at https://github.com/LingxiaoShawn/USD3.  ( 2 min )

We study the problem of automatically discovering Granger causal relations from observational multivariate time-series data. Vector autoregressive (VAR) models have been time-tested for this problem, including Bayesian variants and more recent developments using deep neural networks. Most existing VAR methods for Granger causality use sparsity-inducing penalties/priors or post-hoc thresholds to interpret their coefficients as Granger causal graphs. Instead, we propose a new Bayesian VAR model with a hierarchical graph prior over binary Granger causal graphs, separately from the VAR coefficients. We develop an efficient algorithm to infer the posterior over binary Granger causal graphs. Our method provides better uncertainty quantification, has less hyperparameters, and achieves better performance than competing approaches, especially on sparse multivariate time-series data.  ( 2 min )

The partial Gromov-Wasserstein (PGW) problem facilitates the comparison of measures with unequal masses residing in potentially distinct metric spaces, thereby enabling unbalanced and partial matching across these spaces. In this paper, we demonstrate that the PGW problem can be transformed into a variant of the Gromov-Wasserstein problem, akin to the conversion of the partial optimal transport problem into an optimal transport problem. This transformation leads to two new solvers, mathematically and computationally equivalent, based on the Frank-Wolfe algorithm, that provide efficient solutions to the PGW problem. We further establish that the PGW problem constitutes a metric for metric measure spaces. Finally, we validate the effectiveness of our proposed solvers in terms of computation time and performance on shape-matching and positive-unlabeled learning problems, comparing them against existing baselines.  ( 2 min )

We conduct a systematic study of the approximation properties of Transformer for sequence modeling with long, sparse and complicated memory. We investigate the mechanisms through which different components of Transformer, such as the dot-product self-attention, positional encoding and feed-forward layer, affect its expressive power, and we study their combined effects through establishing explicit approximation rates. Our study reveals the roles of critical parameters in the Transformer, such as the number of layers and the number of attention heads, and these insights also provide natural suggestions for alternative architectures.  ( 2 min )

In the current landscape of deep learning research, there is a predominant emphasis on achieving high predictive accuracy in supervised tasks involving large image and language datasets. However, a broader perspective reveals a multitude of overlooked metrics, tasks, and data types, such as uncertainty, active and continual learning, and scientific data, that demand attention. Bayesian deep learning (BDL) constitutes a promising avenue, offering advantages across these diverse settings. This paper posits that BDL can elevate the capabilities of deep learning. It revisits the strengths of BDL, acknowledges existing challenges, and highlights some exciting research avenues aimed at addressing these obstacles. Looking ahead, the discussion focuses on possible ways to combine large-scale foundation models with BDL to unlock their full potential.  ( 2 min )

We introduce a new mean-field ODE and corresponding interacting particle systems (IPS) for sampling from an unnormalized target density. The IPS are gradient-free, available in closed form, and only require the ability to sample from a reference density and compute the (unnormalized) target-to-reference density ratio. The mean-field ODE is obtained by solving a Poisson equation for a velocity field that transports samples along the geometric mixture of the two densities, which is the path of a particular Fisher-Rao gradient flow. We employ a RKHS ansatz for the velocity field, which makes the Poisson equation tractable and enables discretization of the resulting mean-field ODE over finite samples. The mean-field ODE can be additionally be derived from a discrete-time perspective as the limit of successive linearizations of the Monge-Amp\`ere equations within a framework known as sample-driven optimal transport. We introduce a stochastic variant of our approach and demonstrate empirically that our IPS can produce high-quality samples from varied target distributions, outperforming comparable gradient-free particle systems and competitive with gradient-based alternatives.  ( 2 min )

We seek to understand what facilitates sample-efficient learning from historical datasets for sequential decision-making, a problem that is popularly known as offline reinforcement learning (RL). Further, we are interested in algorithms that enjoy sample efficiency while leveraging (value) function approximation. In this paper, we address these fundamental questions by (i) proposing a notion of data diversity that subsumes the previous notions of coverage measures in offline RL and (ii) using this notion to {unify} three distinct classes of offline RL algorithms based on version spaces (VS), regularized optimization (RO), and posterior sampling (PS). We establish that VS-based, RO-based, and PS-based algorithms, under standard assumptions, achieve \emph{comparable} sample efficiency, which recovers the state-of-the-art sub-optimality bounds for finite and linear model classes with the standard assumptions. This result is surprising, given that the prior work suggested an unfavorable sample complexity of the RO-based algorithm compared to the VS-based algorithm, whereas posterior sampling is rarely considered in offline RL due to its explorative nature. Notably, our proposed model-free PS-based algorithm for offline RL is {novel}, with sub-optimality bounds that are {frequentist} (i.e., worst-case) in nature.  ( 2 min )

We present a systematic study of conditional triangular transport maps in function spaces from the perspective of optimal transportation and with a view towards amortized Bayesian inference. More specifically, we develop a theory of constrained optimal transport problems that describe block-triangular Monge maps that characterize conditional measures along with their Kantorovich relaxations. This generalizes the theory of optimal triangular transport to separable infinite-dimensional function spaces with general cost functions. We further tailor our results to the case of Bayesian inference problems and obtain regularity estimates on the conditioning maps from the prior to the posterior. Finally, we present numerical experiments that demonstrate the computational applicability of our theoretical results for amortized and likelihood-free inference of functional parameters.  ( 2 min )

We propose a new method called the N-particle underdamped Langevin algorithm for optimizing a special class of non-linear functionals defined over the space of probability measures. Examples of problems with this formulation include training mean-field neural networks, maximum mean discrepancy minimization and kernel Stein discrepancy minimization. Our algorithm is based on a novel spacetime discretization of the mean-field underdamped Langevin dynamics, for which we provide a new, fast mixing guarantee. In addition, we demonstrate that our algorithm converges globally in total variation distance, bridging the theoretical gap between the dynamics and its practical implementation.  ( 2 min )

Optimal transport (OT) barycenters are a mathematically grounded way of averaging probability distributions while capturing their geometric properties. In short, the barycenter task is to take the average of a collection of probability distributions w.r.t. given OT discrepancies. We propose a novel algorithm for approximating the continuous Entropic OT (EOT) barycenter for arbitrary OT cost functions. Our approach is built upon the dual reformulation of the EOT problem based on weak OT, which has recently gained the attention of the ML community. Beyond its novelty, our method enjoys several advantageous properties: (i) we establish quality bounds for the recovered solution; (ii) this approach seemlessly interconnects with the Energy-Based Models (EBMs) learning procedure enabling the use of well-tuned algorithms for the problem of interest; (iii) it provides an intuitive optimization scheme avoiding min-max, reinforce and other intricate technical tricks. For validation, we consider several low-dimensional scenarios and image-space setups, including non-Euclidean cost functions. Furthermore, we investigate the practical task of learning the barycenter on an image manifold generated by a pretrained generative model, opening up new directions for real-world applications.  ( 2 min )

This paper proposes a latent prompt Transformer model for solving challenging optimization problems such as molecule design, where the goal is to find molecules with optimal values of a target chemical or biological property that can be computed by an existing software. Our proposed model consists of three components. (1) A latent vector whose prior distribution is modeled by a Unet transformation of a Gaussian white noise vector. (2) A molecule generation model that generates the string-based representation of molecule conditional on the latent vector in (1). We adopt the causal Transformer model that takes the latent vector in (1) as prompt. (3) A property prediction model that predicts the value of the target property of a molecule based on a non-linear regression on the latent vector in (1). We call the proposed model the latent prompt Transformer model. After initial training of the model on existing molecules and their property values, we then gradually shift the model distribution towards the region that supports desired values of the target property for the purpose of molecule design. Our experiments show that our proposed model achieves state of the art performances on several benchmark molecule design tasks.  ( 2 min )

Real-life applications of deep neural networks are hindered by their unsteady predictions when faced with noisy inputs and adversarial attacks. The certified radius is in this context a crucial indicator of the robustness of models. However how to design an efficient classifier with an associated certified radius? Randomized smoothing provides a promising framework by relying on noise injection into the inputs to obtain a smoothed and robust classifier. In this paper, we first show that the variance introduced by the Monte-Carlo sampling in the randomized smoothing procedure estimate closely interacts with two other important properties of the classifier, \textit{i.e.} its Lipschitz constant and margin. More precisely, our work emphasizes the dual impact of the Lipschitz constant of the base classifier, on both the smoothed classifier and the empirical variance. Moreover, to increase the certified robust radius, we introduce a different way to convert logits to probability vectors for the base classifier to leverage the variance-margin trade-off. We leverage the use of Bernstein's concentration inequality along with enhanced Lipschitz bounds for randomized smoothing. Experimental results show a significant improvement in certified accuracy compared to current state-of-the-art methods. Our novel certification procedure allows us to use pre-trained models that are used with randomized smoothing, effectively improving the current certification radius in a zero-shot manner.  ( 2 min )

Deep Nonnegative Matrix Factorization (deep NMF) has recently emerged as a valuable technique for extracting multiple layers of features across different scales. However, all existing deep NMF models and algorithms have primarily centered their evaluation on the least squares error, which may not be the most appropriate metric for assessing the quality of approximations on diverse datasets. For instance, when dealing with data types such as audio signals and documents, it is widely acknowledged that $\beta$-divergences offer a more suitable alternative. In this paper, we develop new models and algorithms for deep NMF using some $\beta$-divergences, with a focus on the Kullback-Leibler divergence. Subsequently, we apply these techniques to the extraction of facial features, the identification of topics within document collections, and the identification of materials within hyperspectral images.  ( 2 min )

The general sequential decision-making problem, which includes Markov decision processes (MDPs) and partially observable MDPs (POMDPs) as special cases, aims at maximizing a cumulative reward by making a sequence of decisions based on a history of observations and actions over time. Recent studies have shown that the sequential decision-making problem is statistically learnable if it admits a low-rank structure modeled by predictive state representations (PSRs). Despite these advancements, existing approaches typically involve oracles or steps that are computationally intractable. On the other hand, the upper confidence bound (UCB) based approaches, which have served successfully as computationally efficient methods in bandits and MDPs, have not been investigated for more general PSRs, due to the difficulty of optimistic bonus design in these more challenging settings. This paper proposes the first known UCB-type approach for PSRs, featuring a novel bonus term that upper bounds the total variation distance between the estimated and true models. We further characterize the sample complexity bounds for our designed UCB-type algorithms for both online and offline PSRs. In contrast to existing approaches for PSRs, our UCB-type algorithms enjoy computational tractability, last-iterate guaranteed near-optimal policy, and guaranteed model accuracy.  ( 2 min )

As the scale of machine learning models increases, trends such as scaling laws anticipate consistent downstream improvements in predictive accuracy. However, these trends take the perspective of a single model-provider in isolation, while in reality providers often compete with each other for users. In this work, we demonstrate that competition can fundamentally alter the behavior of these scaling trends, even causing overall predictive accuracy across users to be non-monotonic or decreasing with scale. We define a model of competition for classification tasks, and use data representations as a lens for studying the impact of increases in scale. We find many settings where improving data representation quality (as measured by Bayes risk) decreases the overall predictive accuracy across users (i.e., social welfare) for a marketplace of competing model-providers. Our examples range from closed-form formulas in simple settings to simulations with pretrained representations on CIFAR-10. At a conceptual level, our work suggests that favorable scaling trends for individual model-providers need not translate to downstream improvements in social welfare in marketplaces with multiple model providers.  ( 2 min )

We study $K$-armed bandit problems where the reward distributions of the arms are all supported on the $[0,1]$ interval. It has been a challenge to design regret-efficient randomized exploration algorithms in this setting. Maillard sampling~\cite{maillard13apprentissage}, an attractive alternative to Thompson sampling, has recently been shown to achieve competitive regret guarantees in the sub-Gaussian reward setting~\cite{bian2022maillard} while maintaining closed-form action probabilities, which is useful for offline policy evaluation. In this work, we propose the Kullback-Leibler Maillard Sampling (KL-MS) algorithm, a natural extension of Maillard sampling for achieving KL-style gap-dependent regret bound. We show that KL-MS enjoys the asymptotic optimality when the rewards are Bernoulli and has a worst-case regret bound of the form $O(\sqrt{\mu^*(1-\mu^*) K T \ln K} + K \ln T)$, where $\mu^*$ is the expected reward of the optimal arm, and $T$ is the time horizon length.  ( 2 min )

Viewing Transformers as interacting particle systems, we describe the geometry of learned representations when the weights are not time dependent. We show that particles, representing tokens, tend to cluster toward particular limiting objects as time tends to infinity. Cluster locations are determined by the initial tokens, confirming context-awareness of representations learned by Transformers. Using techniques from dynamical systems and partial differential equations, we show that the type of limiting object that emerges depends on the spectrum of the value matrix. Additionally, in the one-dimensional case we prove that the self-attention matrix converges to a low-rank Boolean matrix. The combination of these results mathematically confirms the empirical observation made by Vaswani et al. [VSP'17] that leaders appear in a sequence of tokens when processed by Transformers.  ( 2 min )

We tackle estimating sparse coefficients in a linear regression when the covariates are sampled from an $L$-subexponential random vector. This vector belongs to a class of distributions that exhibit heavier tails than Gaussian random vector. Previous studies have established error bounds similar to those derived for Gaussian random vectors. However, these methods require stronger conditions than those used for Gaussian random vectors to derive the error bounds. In this study, we present an error bound identical to the one obtained for Gaussian random vectors up to constant factors without imposing stronger conditions, when the covariates are drawn from an $L$-subexponential random vector. Interestingly, we employ an $\ell_1$-penalized Huber regression, which is known for its robustness against heavy-tailed random noises rather than covariates. We believe that this study uncovers a new aspect of the $\ell_1$-penalized Huber regression method.  ( 2 min )

Neurosymbolic AI is an increasingly active area of research that combines symbolic reasoning methods with deep learning to leverage their complementary benefits. As knowledge graphs are becoming a popular way to represent heterogeneous and multi-relational data, methods for reasoning on graph structures have attempted to follow this neurosymbolic paradigm. Traditionally, such approaches have utilized either rule-based inference or generated representative numerical embeddings from which patterns could be extracted. However, several recent studies have attempted to bridge this dichotomy to generate models that facilitate interpretability, maintain competitive performance, and integrate expert knowledge. Therefore, we survey methods that perform neurosymbolic reasoning tasks on knowledge graphs and propose a novel taxonomy by which we can classify them. Specifically, we propose three major categories: (1) logically-informed embedding approaches, (2) embedding approaches with logical constraints, and (3) rule learning approaches. Alongside the taxonomy, we provide a tabular overview of the approaches and links to their source code, if available, for more direct comparison. Finally, we discuss the unique characteristics and limitations of these methods, then propose several prospective directions toward which this field of research could evolve.  ( 3 min )

In optimization-based approaches to inverse problems and to statistical estimation, it is common to augment criteria that enforce data fidelity with a regularizer that promotes desired structural properties in the solution. The choice of a suitable regularizer is typically driven by a combination of prior domain information and computational considerations. Convex regularizers are attractive computationally but they are limited in the types of structure they can promote. On the other hand, nonconvex regularizers are more flexible in the forms of structure they can promote and they have showcased strong empirical performance in some applications, but they come with the computational challenge of solving the associated optimization problems. In this paper, we seek a systematic understanding of the power and the limitations of convex regularization by investigating the following questions: Given a distribution, what is the optimal regularizer for data drawn from the distribution? What properties of a data source govern whether the optimal regularizer is convex? We address these questions for the class of regularizers specified by functionals that are continuous, positively homogeneous, and positive away from the origin. We say that a regularizer is optimal for a data distribution if the Gibbs density with energy given by the regularizer maximizes the population likelihood (or equivalently, minimizes cross-entropy loss) over all regularizer-induced Gibbs densities. As the regularizers we consider are in one-to-one correspondence with star bodies, we leverage dual Brunn-Minkowski theory to show that a radial function derived from a data distribution is akin to a ``computational sufficient statistic'' as it is the key quantity for identifying optimal regularizers and for assessing the amenability of a data source to convex regularization.  ( 3 min )

We establish a general Bernstein--von Mises theorem for approximately linear semiparametric functionals of fractional posterior distributions based on nonparametric priors. This is illustrated in a number of nonparametric settings and for different classes of prior distributions, including Gaussian process priors. We show that fractional posterior credible sets can provide reliable semiparametric uncertainty quantification, but have inflated size. To remedy this, we further propose a \textit{shifted-and-rescaled} fractional posterior set that is an efficient confidence set having optimal size under regularity conditions. As part of our proofs, we also refine existing contraction rate results for fractional posteriors by sharpening the dependence of the rate on the fractional exponent.  ( 2 min )

Markov Chain Monte Carlo methods for sampling from complex distributions and estimating normalization constants often simulate samples from a sequence of intermediate distributions along an annealing path, which bridges between a tractable initial distribution and a target density of interest. Prior works have constructed annealing paths using quasi-arithmetic means, and interpreted the resulting intermediate densities as minimizing an expected divergence to the endpoints. To analyze these variational representations of annealing paths, we extend known results showing that the arithmetic mean over arguments minimizes the expected Bregman divergence to a single representative point. In particular, we obtain an analogous result for quasi-arithmetic means, when the inputs to the Bregman divergence are transformed under a monotonic embedding function. Our analysis highlights the interplay between quasi-arithmetic means, parametric families, and divergence functionals using the rho-tau representational Bregman divergence framework, and associates common divergence functionals with intermediate densities along an annealing path.  ( 2 min )

Distribution comparison plays a central role in many machine learning tasks like data classification and generative modeling. In this study, we propose a novel metric, called Hilbert curve projection (HCP) distance, to measure the distance between two probability distributions with low complexity. In particular, we first project two high-dimensional probability distributions using Hilbert curve to obtain a coupling between them, and then calculate the transport distance between these two distributions in the original space, according to the coupling. We show that HCP distance is a proper metric and is well-defined for probability measures with bounded supports. Furthermore, we demonstrate that the modified empirical HCP distance with the $L_p$ cost in the $d$-dimensional space converges to its population counterpart at a rate of no more than $O(n^{-1/2\max\{d,p\}})$. To suppress the curse-of-dimensionality, we also develop two variants of the HCP distance using (learnable) subspace projections. Experiments on both synthetic and real-world data show that our HCP distance works as an effective surrogate of the Wasserstein distance with low complexity and overcomes the drawbacks of the sliced Wasserstein distance.  ( 2 min )

We describe and study a transport based procedure called NetOTC (network optimal transition coupling) for the comparison and alignment of two networks. The networks of interest may be directed or undirected, weighted or unweighted, and may have distinct vertex sets of different sizes. Given two networks and a cost function relating their vertices, NetOTC finds a transition coupling of their associated random walks having minimum expected cost. The minimizing cost quantifies the difference between the networks, while the optimal transport plan itself provides alignments of both the vertices and the edges of the two networks. Coupling of the full random walks, rather than their marginal distributions, ensures that NetOTC captures local and global information about the networks, and preserves edges. NetOTC has no free parameters, and does not rely on randomization. We investigate a number of theoretical properties of NetOTC and present experiments establishing its empirical performance.  ( 2 min )

Training neural networks usually require large numbers of sensitive training data, and how to protect the privacy of training data has thus become a critical topic in deep learning research. InstaHide is a state-of-the-art scheme to protect training data privacy with only minor effects on test accuracy, and its security has become a salient question. In this paper, we systematically study recent attacks on InstaHide and present a unified framework to understand and analyze these attacks. We find that existing attacks either do not have a provable guarantee or can only recover a single private image. On the current InstaHide challenge setup, where each InstaHide image is a mixture of two private images, we present a new algorithm to recover all the private images with a provable guarantee and optimal sample complexity. In addition, we also provide a computational hardness result on retrieving all InstaHide images. Our results demonstrate that InstaHide is not information-theoretically secure but computationally secure in the worst case, even when mixing two private images.  ( 2 min )

We propose a new adaptive hypothesis test for inequality (e.g., monotonicity, convexity) and equality (e.g., parametric, semiparametric) restrictions on a structural function in a nonparametric instrumental variables (NPIV) model. Our test statistic is based on a modified leave-one-out sample analog of a quadratic distance between the restricted and unrestricted sieve NPIV estimators. We provide computationally simple, data-driven choices of sieve tuning parameters and Bonferroni adjusted chi-squared critical values. Our test adapts to the unknown smoothness of alternative functions in the presence of unknown degree of endogeneity and unknown strength of the instruments. It attains the adaptive minimax rate of testing in $L^2$. That is, the sum of its type I error uniformly over the composite null and its type II error uniformly over nonparametric alternative models cannot be improved by any other hypothesis test for NPIV models of unknown regularities. Confidence sets in $L^2$ are obtained by inverting the adaptive test. Simulations confirm that our adaptive test controls size and its finite-sample power greatly exceeds existing non-adaptive tests for monotonicity and parametric restrictions in NPIV models. Empirical applications to test for shape restrictions of differentiated products demand and of Engel curves are presented.  ( 2 min )

In recent years, few-shot learning problems have received a lot of attention. While methods in most previous works were trained and tested on datasets in one single domain, cross-domain few-shot learning is a brand-new branch of few-shot learning problems, where models handle datasets in different domains between training and testing phases. In this paper, to solve the problem that the model is pre-trained (meta-trained) on a single dataset while fine-tuned on datasets in four different domains, including common objects, satellite images, and medical images, we propose a novel large margin fine-tuning method (LMM-PQS), which generates pseudo query images from support images and fine-tunes the feature extraction modules with a large margin mechanism inspired by methods in face recognition. According to the experiment results, LMM-PQS surpasses the baseline models by a significant margin and demonstrates that our approach is robust and can easily adapt pre-trained models to new domains with few data.  ( 2 min )

We introduce a new PAC-Bayes oracle bound for unbounded losses. This result can be understood as a PAC-Bayesian version of the Cram\'er-Chernoff bound. The proof technique relies on controlling the tails of certain random variables involving the Cram\'er transform of the loss. We highlight several applications of the main theorem. First, we show that our result naturally allows exact optimization of the free parameter on many PAC-Bayes bounds. Second, we recover and generalize previous results. Finally, we show that our approach allows working with richer assumptions that result in more informative and potentially tighter bounds. In this direction, we provide a general bound under a new ``model-dependent bounded CGF" assumption from which we obtain bounds based on parameter norms and log-Sobolev inequalities. All these bounds can be minimized to obtain novel posteriors.  ( 2 min )

In this study, we delve into the problem of self-supervised learning (SSL) utilizing the 1-Wasserstein distance on a tree structure (a.k.a., Tree-Wasserstein distance (TWD)), where TWD is defined as the L1 distance between two tree-embedded vectors. In SSL methods, the cosine similarity is often utilized as an objective function; however, it has not been well studied when utilizing the Wasserstein distance. Training the Wasserstein distance is numerically challenging. Thus, this study empirically investigates a strategy for optimizing the SSL with the Wasserstein distance and finds a stable training procedure. More specifically, we evaluate the combination of two types of TWD (total variation and ClusterTree) and several probability models, including the softmax function, the ArcFace probability model, and simplicial embedding. We propose a simple yet effective Jeffrey divergence-based regularization method to stabilize optimization. Through empirical experiments on STL10, CIFAR10, CIFAR100, and SVHN, we find that a simple combination of the softmax function and TWD can obtain significantly lower results than the standard SimCLR. Moreover, a simple combination of TWD and SimSiam fails to train the model. We find that the model performance depends on the combination of TWD and probability model, and that the Jeffrey divergence regularization helps in model training. Finally, we show that the appropriate combination of the TWD and probability model outperforms cosine similarity-based representation learning.  ( 3 min )

We consider the problem of model selection in a high-dimensional sparse linear regression model under privacy constraints. We propose a differentially private best subset selection method with strong utility properties by adopting the well-known exponential mechanism for selecting the best model. We propose an efficient Metropolis-Hastings algorithm and establish that it enjoys polynomial mixing time to its stationary distribution. Furthermore, we also establish approximate differential privacy for the final estimates of the Metropolis-Hastings random walk using its mixing property. Finally, we perform some illustrative experiments that show the strong utility of our algorithm.  ( 2 min )

Deep probabilistic time series forecasting has gained attention for its superior performance in nonlinear approximation and its capability to offer valuable uncertainty quantification for decision-making. However, existing models often oversimplify the problem by assuming a time-independent error process, overlooking serial correlation. To overcome this limitation, we propose an innovative training method that incorporates error autocorrelation to enhance probabilistic forecasting accuracy. Our method constructs a mini-batch as a collection of $D$ consecutive time series segments for model training. It explicitly learns a time-varying covariance matrix over each mini-batch, encoding error correlation among adjacent time steps. The learned covariance matrix can be used to improve prediction accuracy and enhance uncertainty quantification. We evaluate our method on two different neural forecasting models and multiple public datasets. Experimental results confirm the effectiveness of the proposed approach in improving the performance of both models across a range of datasets, resulting in notable improvements in predictive accuracy.  ( 2 min )

Existing work on trustworthy machine learning (ML) often concentrates on individual aspects of trust, such as fairness or privacy. Additionally, many techniques overlook the distinction between those who train ML models and those responsible for assessing their trustworthiness. To address these issues, we propose a framework that views trustworthy ML as a multi-objective multi-agent optimization problem. This naturally lends itself to a game-theoretic formulation we call regulation games. We illustrate a particular game instance, the SpecGame in which we model the relationship between an ML model builder and fairness and privacy regulators. Regulators wish to design penalties that enforce compliance with their specification, but do not want to discourage builders from participation. Seeking such socially optimal (i.e., efficient for all agents) solutions to the game, we introduce ParetoPlay. This novel equilibrium search algorithm ensures that agents remain on the Pareto frontier of their objectives and avoids the inefficiencies of other equilibria. Simulating SpecGame through ParetoPlay can provide policy guidance for ML Regulation. For instance, we show that for a gender classification application, regulators can enforce a differential privacy budget that is on average 4.0 lower if they take the initiative to specify their desired guarantee first.  ( 2 min )

Using unlabeled data to regularize the machine learning models has demonstrated promise for improving safety and reliability in detecting out-of-distribution (OOD) data. Harnessing the power of unlabeled in-the-wild data is non-trivial due to the heterogeneity of both in-distribution (ID) and OOD data. This lack of a clean set of OOD samples poses significant challenges in learning an optimal OOD classifier. Currently, there is a lack of research on formally understanding how unlabeled data helps OOD detection. This paper bridges the gap by introducing a new learning framework SAL (Separate And Learn) that offers both strong theoretical guarantees and empirical effectiveness. The framework separates candidate outliers from the unlabeled data and then trains an OOD classifier using the candidate outliers and the labeled ID data. Theoretically, we provide rigorous error bounds from the lens of separability and learnability, formally justifying the two components in our algorithm. Our theory shows that SAL can separate the candidate outliers with small error rates, which leads to a generalization guarantee for the learned OOD classifier. Empirically, SAL achieves state-of-the-art performance on common benchmarks, reinforcing our theoretical insights. Code is publicly available at https://github.com/deeplearning-wisc/sal.  ( 2 min )

In this paper, we study zeroth-order algorithms for nonconvex minimax problems with coupled linear constraints under the deterministic and stochastic settings, which have attracted wide attention in machine learning, signal processing and many other fields in recent years, e.g., adversarial attacks in resource allocation problems and network flow problems etc. We propose two single-loop algorithms, namely the zero-order primal-dual alternating projected gradient (ZO-PDAPG) algorithm and the zero-order regularized momentum primal-dual projected gradient algorithm (ZO-RMPDPG), for solving deterministic and stochastic nonconvex-(strongly) concave minimax problems with coupled linear constraints. The iteration complexity of the two proposed algorithms to obtain an $\varepsilon$-stationary point are proved to be $\mathcal{O}(\varepsilon ^{-2})$ (resp. $\mathcal{O}(\varepsilon ^{-4})$) for solving nonconvex-strongly concave (resp. nonconvex-concave) minimax problems with coupled linear constraints under deterministic settings and $\tilde{\mathcal{O}}(\varepsilon ^{-3})$ (resp. $\tilde{\mathcal{O}}(\varepsilon ^{-6.5})$) under stochastic settings respectively. To the best of our knowledge, they are the first two zeroth-order algorithms with iterative complexity guarantees for solving nonconvex-(strongly) concave minimax problems with coupled linear constraints under the deterministic and stochastic settings.  ( 2 min )

We give quantitative estimates for the rate of convergence of Riemannian stochastic gradient descent (RSGD) to Riemannian gradient flow and to a diffusion process, the so-called Riemannian stochastic modified flow (RSMF). Using tools from stochastic differential geometry we show that, in the small learning rate regime, RSGD can be approximated by the solution to the RSMF driven by an infinite-dimensional Wiener process. The RSMF accounts for the random fluctuations of RSGD and, thereby, increases the order of approximation compared to the deterministic Riemannian gradient flow. The RSGD is build using the concept of a retraction map, that is, a cost efficient approximation of the exponential map, and we prove quantitative bounds for the weak error of the diffusion approximation under assumptions on the retraction map, the geometry of the manifold, and the random estimators of the gradient.  ( 2 min )

With the advent of artificial intelligence (AI) and machine learning (ML), various domains of science and engineering communites has leveraged data-driven surrogates to model complex systems from numerous sources of information (data). The proliferation has led to significant reduction in cost and time involved in development of superior systems designed to perform specific functionalities. A high proposition of such surrogates are built extensively fusing multiple sources of data, may it be published papers, patents, open repositories, or other resources. However, not much attention has been paid to the differences in quality and comprehensiveness of the known and unknown underlying physical parameters of the information sources that could have downstream implications during system optimization. Towards resolving this issue, a multi-source data fusion framework based on Latent Variable Gaussian Process (LVGP) is proposed. The individual data sources are tagged as a characteristic categorical variable that are mapped into a physically interpretable latent space, allowing the development of source-aware data fusion modeling. Additionally, a dissimilarity metric based on the latent variables of LVGP is introduced to study and understand the differences in the sources of data. The proposed approach is demonstrated on and analyzed through two mathematical (representative parabola problem, 2D Ackley function) and two materials science (design of FeCrAl and SmCoFe alloys) case studies. From the case studies, it is observed that compared to using single-source and source unaware ML models, the proposed multi-source data fusion framework can provide better predictions for sparse-data problems, interpretability regarding the sources, and enhanced modeling capabilities by taking advantage of the correlations and relationships among different sources.  ( 3 min )

It is well known that the state space (SS) model formulation of a Gaussian process (GP) can lower its training and prediction time both to O(n) for n data points. We prove that an $m$-dimensional SS model formulation of GP is equivalent to a concept we introduce as the general right Kernel Packet (KP): a transformation for the GP covariance function $K$ such that $\sum_{i=0}^{m}a_iD_t^{(j)}K(t,t_i)=0$ holds for any $t \leq t_1$, 0 $\leq j \leq m-1$, and $m+1$ consecutive points $t_i$, where ${D}_t^{(j)}f(t) $ denotes $j$-th order derivative acting on $t$. We extend this idea to the backward SS model formulation of the GP, leading to the concept of the left KP for next $m$ consecutive points: $\sum_{i=0}^{m}b_i{D}_t^{(j)}K(t,t_{m+i})=0$ for any $t\geq t_{2m}$. By combining both left and right KPs, we can prove that a suitable linear combination of these covariance functions yields $m$ compactly supported KP functions: $\phi^{(j)}(t)=0$ for any $t\not\in(t_0,t_{2m})$ and $j=0,\cdots,m-1$. KPs further reduces the prediction time of GP to O(log n) or even O(1) and can be applied to more general problems involving the derivative of GPs.  ( 2 min )

In this paper, we perform a non-asymptotic analysis of the federated linear stochastic approximation (FedLSA) algorithm. We explicitly quantify the bias introduced by local training with heterogeneous agents, and investigate the sample complexity of the algorithm. We show that the communication complexity of FedLSA scales polynomially with the desired precision $\epsilon$, which limits the benefits of federation. To overcome this, we propose SCAFFLSA, a novel variant of FedLSA, that uses control variates to correct the bias of local training, and prove its convergence without assumptions on statistical heterogeneity. We apply the proposed methodology to federated temporal difference learning with linear function approximation, and analyze the corresponding complexity improvements.  ( 2 min )

Synthetic Minority Oversampling Technique (SMOTE) is a common rebalancing strategy for handling imbalanced data sets. Asymptotically, we prove that SMOTE (with default parameter) regenerates the original distribution by simply copying the original minority samples. We also prove that SMOTE density vanishes near the boundary of the support of the minority distribution, therefore justifying the common BorderLine SMOTE strategy. Then we introduce two new SMOTE-related strategies, and compare them with state-of-the-art rebalancing procedures. We show that rebalancing strategies are only required when the data set is highly imbalanced. For such data sets, SMOTE, our proposals, or undersampling procedures are the best strategies.  ( 2 min )

Supervised learning has recently garnered significant attention in the field of computational physics due to its ability to effectively extract complex patterns for tasks like solving partial differential equations, or predicting material properties. Traditionally, such datasets consist of inputs given as meshes with a large number of nodes representing the problem geometry (seen as graphs), and corresponding outputs obtained with a numerical solver. This means the supervised learning model must be able to handle large and sparse graphs with continuous node attributes. In this work, we focus on Gaussian process regression, for which we introduce the Sliced Wasserstein Weisfeiler-Lehman (SWWL) graph kernel. In contrast to existing graph kernels, the proposed SWWL kernel enjoys positive definiteness and a drastic complexity reduction, which makes it possible to process datasets that were previously impossible to handle. The new kernel is first validated on graph classification for molecular datasets, where the input graphs have a few tens of nodes. The efficiency of the SWWL kernel is then illustrated on graph regression in computational fluid dynamics and solid mechanics, where the input graphs are made up of tens of thousands of nodes.  ( 2 min )

Attention-based architectures, in particular transformers, are at the heart of a technological revolution. Interestingly, in addition to helping obtain state-of-the-art results on a wide range of applications, the attention mechanism intrinsically provides meaningful insights on the internal behavior of the model. Can these insights be used as explanations? Debate rages on. In this paper, we mathematically study a simple attention-based architecture and pinpoint the differences between post-hoc and attention-based explanations. We show that they provide quite different results, and that, despite their limitations, post-hoc methods are capable of capturing more useful insights than merely examining the attention weights.  ( 2 min )

In this study, we consider the reliability assessment of anomaly detection (AD) using Variational Autoencoder (VAE). Over the last decade, VAE-based AD has been actively studied in various perspective, from method development to applied research. However, when the results of ADs are used in high-stakes decision-making, such as in medical diagnosis, it is necessary to ensure the reliability of the detected anomalies. In this study, we propose the VAE-AD Test as a method for quantifying the statistical reliability of VAE-based AD within the framework of statistical testing. Using the VAE-AD Test, the reliability of the anomaly regions detected by a VAE can be quantified in the form of p-values. This means that if an anomaly is declared when the p-value is below a certain threshold, it is possible to control the probability of false detection to a desired level. Since the VAE-AD Test is constructed based on a new statistical inference framework called selective inference, its validity is theoretically guaranteed in finite samples. To demonstrate the validity and effectiveness of the proposed VAE-AD Test, numerical experiments on artificial data and applications to brain image analysis are conducted.  ( 2 min )

Variable importance plays a pivotal role in interpretable machine learning as it helps measure the impact of factors on the output of the prediction model. Model agnostic methods based on the generation of "null" features via permutation (or related approaches) can be applied. Such analysis is often utilized in pharmaceutical applications due to its ability to interpret black-box models, including tree-based ensembles. A major challenge and significant confounder in variable importance estimation however is the presence of between-feature correlation. Recently, several adjustments to marginal permutation utilizing feature knockoffs were proposed to address this issue, such as the variable importance measure known as conditional predictive impact (CPI). Assessment and evaluation of such approaches is the focus of our work. We first present a comprehensive simulation study investigating the impact of feature correlation on the assessment of variable importance. We then theoretically prove the limitation that highly correlated features pose for the CPI through the knockoff construction. While we expect that there is always no correlation between knockoff variables and its corresponding predictor variables, we prove that the correlation increases linearly beyond a certain correlation threshold between the predictor variables. Our findings emphasize the absence of free lunch when dealing with high feature correlation, as well as the necessity of understanding the utility and limitations behind methods in variable importance estimation.  ( 3 min )

Graph neural networks (GNNs) have gained popularity for various graph-related tasks. However, similar to deep neural networks, GNNs are also vulnerable to adversarial attacks. Empirical studies have shown that adversarially robust generalization has a pivotal role in establishing effective defense algorithms against adversarial attacks. In this paper, we contribute by providing adversarially robust generalization bounds for two kinds of popular GNNs, graph convolutional network (GCN) and message passing graph neural network, using the PAC-Bayesian framework. Our result reveals that spectral norm of the diffusion matrix on the graph and spectral norm of the weights as well as the perturbation factor govern the robust generalization bounds of both models. Our bounds are nontrivial generalizations of the results developed in (Liao et al., 2020) from the standard setting to adversarial setting while avoiding exponential dependence of the maximum node degree. As corollaries, we derive better PAC-Bayesian robust generalization bounds for GCN in the standard setting, which improve the bounds in (Liao et al., 2020) by avoiding exponential dependence on the maximum node degree.  ( 2 min )

We present a theoretical approach to overcome the curse of dimensionality using a neural computation algorithm which can be distributed across several machines. Our modular distributed deep learning paradigm, termed \textit{neural pathways}, can achieve arbitrary accuracy while only loading a small number of parameters into GPU VRAM. Formally, we prove that for every error level $\varepsilon>0$ and every Lipschitz function $f:[0,1]^n\to \mathbb{R}$, one can construct a neural pathways model which uniformly approximates $f$ to $\varepsilon$ accuracy over $[0,1]^n$ while only requiring networks of $\mathcal{O}(\varepsilon^{-1})$ parameters to be loaded in memory and $\mathcal{O}(\varepsilon^{-1}\log(\varepsilon^{-1}))$ to be loaded during the forward pass. This improves the optimal bounds for traditional non-distributed deep learning models, namely ReLU MLPs, which need $\mathcal{O}(\varepsilon^{-n/2})$ parameters to achieve the same accuracy. The only other available deep learning model that breaks the curse of dimensionality is MLPs with super-expressive activation functions. However, we demonstrate that these models have an infinite VC dimension, even with bounded depth and width restrictions, unlike the neural pathways model. This implies that only the latter generalizes. Our analysis is validated experimentally in both regression and classification tasks, demonstrating that our model exhibits superior performance compared to larger centralized benchmarks.  ( 2 min )

This paper introduces a novel domain adaptation technique for time series data, called Mixing model Stiefel Adaptation (MSA), specifically addressing the challenge of limited labeled signals in the target dataset. Leveraging a domain-dependent mixing model and the optimal transport domain adaptation assumption, we exploit abundant unlabeled data in the target domain to ensure effective prediction by establishing pairwise correspondence with equivalent signal variances between domains. Theoretical foundations are laid for identifying crucial Stiefel matrices, essential for recovering underlying signal variances from a Riemannian representation of observed signal covariances. We propose an integrated cost function that simultaneously learns these matrices, pairwise domain relationships, and a predictor, classifier, or regressor, depending on the task. Applied to neuroscience problems, MSA outperforms recent methods in brain-age regression with task variations using magnetoencephalography (MEG) signals from the Cam-CAN dataset.  ( 2 min )

We study the effect of the batch size to the total gradient variance in differentially private stochastic gradient descent (DP-SGD), seeking a theoretical explanation for the usefulness of large batch sizes. As DP-SGD is the basis of modern DP deep learning, its properties have been widely studied, and recent works have empirically found large batch sizes to be beneficial. However, theoretical explanations of this benefit are currently heuristic at best. We first observe that the total gradient variance in DP-SGD can be decomposed into subsampling-induced and noise-induced variances. We then prove that in the limit of an infinite number of iterations, the effective noise-induced variance is invariant to the batch size. The remaining subsampling-induced variance decreases with larger batch sizes, so large batches reduce the effective total gradient variance. We confirm numerically that the asymptotic regime is relevant in practical settings when the batch size is not small, and find that outside the asymptotic regime, the total gradient variance decreases even more with large batch sizes. We also find a sufficient condition that implies that large batch sizes similarly reduce effective DP noise variance for one iteration of DP-SGD.  ( 2 min )

The increasing complexity of advanced machine learning models requires innovative approaches to manage computational resources effectively. One such method is the Early Exit strategy, which allows for adaptive computation by providing a mechanism to shorten the processing path for simpler data instances. In this paper, we propose EERO, a new methodology to translate the problem of early exiting to a problem of using multiple classifiers with reject option in order to better select the exiting head for each instance. We calibrate the probabilities of exiting at the different heads using aggregation with exponential weights to guarantee a fixed budget .We consider factors such as Bayesian risk, budget constraints, and head-specific budget consumption. Experimental results, conducted using a ResNet-18 model and a ConvNext architecture on Cifar and ImageNet datasets, demonstrate that our method not only effectively manages budget allocation but also enhances accuracy in overthinking scenarios.  ( 2 min )

Spatial prediction tasks are key to weather forecasting, studying air pollution, and other scientific endeavors. Determining how much to trust predictions made by statistical or physical methods is essential for the credibility of scientific conclusions. Unfortunately, classical approaches for validation fail to handle mismatch between locations available for validation and (test) locations where we want to make predictions. This mismatch is often not an instance of covariate shift (as commonly formalized) because the validation and test locations are fixed (e.g., on a grid or at select points) rather than i.i.d. from two distributions. In the present work, we formalize a check on validation methods: that they become arbitrarily accurate as validation data becomes arbitrarily dense. We show that classical and covariate-shift methods can fail this check. We instead propose a method that builds from existing ideas in the covariate-shift literature, but adapts them to the validation data at hand. We prove that our proposal passes our check. And we demonstrate its advantages empirically on simulated and real data.  ( 2 min )

Some work im doing coming out with a github and stuff soon submitted by /u/ahauss [link] [comments]

submitted by /u/DeepDreamerX [link] [comments]

This is just something I get the feeling will happen as AI gets better and it's because of one issue censorship. To be clear I'm not saying LLM or art Generators should let anything be made however as they have improved the more it is going to get censored to the point it has very few uses. I have seen this some already where lots of people say Bing and GPT would not make something do to "not following guidelines" Something simple like a story where a barfight breaks out will details or wanting a romance with kissing and I have a feeling this is just going to get worse and worse to the point no one wants to use creative AI. Maybe I will be wrong but that seems the way things are going. submitted by /u/ryan7251 [link] [comments]

I built a multi layer NN using numpy, from Andrew Ng's Deep Learning course on coursera. I grok most of it except for the calculus. I have some tutorials on building transformers with PyTorch, which I'll be working through. How hard would it be to build a transformer using straight Numpy? Anyone know how to do this? We're running a local LLM user group for learning how to run Llama 2 and Mistral, but I want to investigate whether it would be possible to build a tiny LLM using Pytorch. And if at all possible, using Numpy. How hard would building a transformer be using Numpy, and how hard would it be to build a tiny LLM using Numpy and wikipedia data? One possible goal is to build a barebones LLM that is small, like 100m parameters, so that people with every day graphics cards can run it using the Open LLM toolsets and even fine tune it. And one major goal is to understand the guts of a transformer by building one from scratch. I've learned so much about deep learning models by building them from scratch with Numpy, using PyTorch there was so much I didn't learn about them. submitted by /u/xyz_TrashMan_zyx [link] [comments]

I've included responses to a question I asked both ChatGPT and Claude II. The central idea is that humans are almost exclusively socialized to fit into a civilized society. This is the water through which the vast bulk of humanity swims at this point. I'm a critic of civilized systems in that I view them as authoritarian processes that rely on forcing people into compliance with rules set by a small group of people... and disproportionately trend to the benefit of these small groups. This means that the resulting societies that socialize their populations to civilized constraints create along with that socialization a spectrum of human behavior that seems inherent to humanity but is in fact inherent to the civilized form of socialization. This idea has interesting results when it comes t…

What do you think of the idea of ​​a preschool cartoon, like Dora the Explorer, but with artificial intelligence? Like, in the normal cartoon the kid watches the show and Dora asks questions, but regardless of what the child "answers" Dora will ignore the answer and follow the same fixed script, but giving an illusion of interaction. But with AI, Dora would wait for the child to answer, and act according to it's response, and the AI ​​would create subsequent scenarios, in both script and drawing, creating a new story according to the children's answers. So it would really be an interactive cartoon. submitted by /u/LeonardoGheno [link] [comments]

submitted by /u/vinaylovestotravel [link] [comments]

A few days ago, Sam Altman, CEO of OpenAI, in an interview with Reddit co-founder Alexis Ohanian, envisioned a new type of startup for the AI era: the solo unicorn company, predicting that its emergence is not far off. Altman mentioned that within a small group of tech company CEOs, they have a bet on when the first billion-dollar company with only one person will appear—a scenario unimaginable without AI but now becoming a reality. ​ 1. James Currier, a partner at NFX, also believes it's a question of when, not if, this will happen. Despite significant adjustments in the venture capital industry over the past two years, with some unicorns becoming "unicorpse," some investors believe we are entering a new golden age of startups. The essence of startups is rapid action, and AI is expec…

Apple releases ‘MGIE’, a revolutionary AI model for instruction-based image editing.[1] Microsoft partners with Semafor for AI-assisted news content.[2] Palantir shares rocket 30% after revenue beat, strong demand for AI.[3] Meta Calls for Industry Effort to Label A.I.-Generated Content.[4] Sources: [1] https://venturebeat.com/ai/apple-releases-mgie-a-revolutionary-ai-model-for-instruction-based-image-editing/ [2] https://www.reuters.com/technology/microsoft-partners-with-semafor-ai-assisted-news-content-2024-02-05/ [3] https://www.cnbc.com/2024/02/06/palantir-shares-rocket-25percent-after-revenue-beat-strong-demand-for-ai.html [4] https://www.nytimes.com/2024/02/06/technology/meta-ai-standards-labels.html submitted by /u/Excellent-Target-847 [link] [comments]

submitted by /u/UggghhhhhhWhy [link] [comments]

submitted by /u/GoodhartMusic [link] [comments]

Ex: Botpress, MS Bot Framwork, Rasa, Dialogflow, etc. what’s your choice of framework and why did you choose that? submitted by /u/served_it_too_hot [link] [comments]

I have just released Pearl-3x7B, a Mixture of Experts (MoE) made with the following models : dvilasuero/DistilabelBeagle14-7B beowolx/CodeNinja-1.0-OpenChat-7B WizardLM/WizardMath-7B-V1.1 Link to Hugging Face : https://huggingface.co/louisbrulenaudet/Pearl-3x7B A Mixture of Experts (MoE) model represents a sophisticated architecture that amalgamates the capabilities of multiple specialized models to address a wide array of tasks within a unified framework. Within the realm of a MoE model tailored for a chat application, the integration of expertise spanning three distinct domains - chat, code, and mathematics - substantially enhances its capacity to furnish nuanced and precise responses to a diverse spectrum of user inquiries. The initial expert model, honed for chat applications, exhibits prowess in comprehending natural language nuances, conversational dynamics, and contextual cues. Drawing upon extensive conversational data, it adeptly generates engaging and contextually pertinent responses, thereby fostering meaningful interactions with users. The subsequent expert model, centered on code, brings to the fore proficiency in programming languages, algorithms, and software engineering principles. Possessing a deep-seated understanding of syntax, logical constructs, and problem-solving methodologies, it deftly tackles queries spanning coding challenges, debugging assistance, and software development inquiries. Lastly, the third expert model, specializing in mathematics, boasts expertise in mathematical reasoning, problem-solving strategies, and analytical techniques. Armed with a breadth of knowledge encompassing arithmetic, algebra, calculus, and beyond, it offers precise solutions, lucid explanations, and profound insights for mathematical queries, equations, and proofs. Pearl logo submitted by /u/louisbrulenaudet [link] [comments]

So I have a task of anonaly and I have multivariate time series data for a machining process, I am performing Feature Extraction using tsfresh and then running the model on XGBoost(around 59000 features consisting NaN values). Now the F1 score is the final judgement criteria and I am getting it around 0.875 which is okay but I want to increase it. I want to select feature selection, which I already tried but I am getting Value error of mismatch model features on test set because I think the feature extracted in test set has different NaN values and I removed them and then ran the feature selection model using forward wrapper Random forest. Iam confused that if I want to do feature selection and try to reduce the overfitting of my model then how do I deal with the NaN values and how does NaN values affect the entire model. And if I train my model and save the model using joblib function, and then I run the model on unseen data then how can it excecute without showing error. Beginner here, trying it since weeks! Any help, suggestions or video links will be very helpful. Thank You! submitted by /u/Kompactkulatius [link] [comments]

I have been using Kaggle for training models. I have a notebook in which I ran this command !pip install -Uqq fastai and it output this error: ERROR: pip's dependency resolver does not currently take into account all the packages that are installed. This behaviour is the source of the following dependency conflicts. tensorflow-io 0.21.0 requires tensorflow-io-gcs-filesystem==0.21.0, which is not installed. tensorflow 2.6.3 requires absl-py~=0.10, but you have absl-py 1.0.0 which is incompatible. tensorflow 2.6.3 requires numpy~=1.19.2, but you have numpy 1.21.6 which is incompatible. And many more similar errors. How can I fix this? Remember I am using a Jupyter Notebook in Kaggle so maybe there is a special way to install packages in a Kaggle notebook? submitted by /u/warpanomaly [link] [comments]

Hello, Reddit! We are students at Carnegie Mellon University, exploring a startup idea focused on auditing datasets and responsible development of synthetic multimodal data. We're conducting user interviews to understand the opportunities and challenges in practical machine learning, specifically around data, biases, and model improvements. If you're a data scientist, machine learning engineer, AI ethicist, or have a keen interest in this field, we'd love to hear from you. Please comment or DM if you're open to a quick discussion. Your insights could shape our startup's direction. Thanks! submitted by /u/ComplexAnalysis42 [link] [comments]

Well, I guess everyone who has experience with music composition and production can agree with the title, right? I have made music for a living for almost 2 years and I could get to a point to deal with very bad MIDI files, very crappy recordings, noisy environments, extra instruments and similar things. So I learned how to isolate different sounds, EQ them, remove noises and put that in production. These days, I'm working and messing with generative models and websites and I see one common problem. They output a wav/mp3 file with all sounds bounded together. I know it's good for a hobbyist person who wants to try something new. I also know that is the best option for a grandma who wants to use the music on her instagram videos without getting copyright claimed but let's see this in pe…

I am wondering after deploying a model in a large computer vision project, what do you do with the images used for training? Do you: Delete them? Sitting there in cloud storage just in case Use embeddings for future downstream tasks Move them into cold storage Asking for a friend. submitted by /u/Numerous_Speed_9107 [link] [comments]

I've been wrestling with the common issue of feeding my PyTorch ML pipelines directly from cloud storage options like S3 instead of EFS. While it's a convenient setup, the performance hit can be quite discouraging, especially when dealing with large datasets or needing speedy iterations for model training and evaluation. I stumbled upon this guide that talks about optimizing PyTorch performance while reducing costs. Would love to hear your thoughts on this or if anyone has tried this in their own projects? Have you noticed a significant performance improvement? Are the cost savings as good as promised? submitted by /u/UpvoteBeast [link] [comments]

Hello all, I am graduate student and have an open ended project for my course on deep learning. I don't want to do any generic projects and want to work on new topics in deep learning. I'm a intermediate level skilled at Deep learning and machine learning and would be grateful for any suggestions or guidance on this topic. submitted by /u/dhruv_sridhar [link] [comments]

https://preview.redd.it/yqt2frcc28hc1.png?width=677&format=png&auto=webp&s=babb8b7714ddb2c716b8350eb59f8c88a4148e29 I'm currently working on developing a comprehensive automation pipeline to streamline various tasks involving interactions with web interfaces and applications. To achieve this goal, I'm exploring the integration of LLaVA (Local Large Language Visual Agent), LM Studio, and Autogen. Here's a breakdown of what I'm aiming to accomplish and where I'm seeking guidance: LLaVA Integration: I intend to leverage LLaVA's visual recognition capabilities to identify and understand visual elements within web interfaces and applications. LLaVA's ability to recognize UI components such as buttons, text fields, and dropdown menus will be crucial for automating user interactions. LM St…

Dear community, I'm aiming to carry out a binary classification with real-world data that includes time series data as Input Features. I plan to utilize a neural network to leverage these time series for predicting classes. Are there any examples, ideas, or specific architectures you would recommend for this purpose? Each sample of mine consists of 4 time series. Any advice or assistance would be greatly appreciated. Previously, I tried a different method where I generated aggregated features from the raw data and tested them with standard algorithms like Random Forest Classifier or Logistic Regression. Unfortunately, the features I created didn't allow for accurate predictions. While I could predict one class with some degree of accuracy, the other class—which is actually more crucial—could not be predicted at all. Moreover, I have a significant larger amount of data for the class that was easier to predict. I've tried using resampling techniques to avoid bias towards the more dominant class, but still… my results are not sufficient. Now, I'm considering a new approach by using the raw measurements (time series) directly as input features to see if that can improve class prediction. I'm open to and thankful for all suggestions. submitted by /u/Solid_Entertainer229 [link] [comments]

1) Is there a main website you can use to see which models are “the best” for specific tasks? For example, take this tweet: https://x.com/skalskip92/status/1754916529672438173?s=46&t=58VXpQzzO3pN1VW8RwvMGw. I’m sure there are other models that can perform this task. This model looks interesting, and I wanted to mess around with it. Thing is, if there’s a model that’s the “lead” model for vocabulary object identification, I’d rather be using that one. 2) Are there specific stats for the model you should generally be looking at to see if it’s good or not? I’m assuming if it’s the leading model for X use-case, then it’s the best one, correct? 3) I’ve heard about huggingface being one of the websites where you can see leaderboards for categories of models. How can one make sure the model they’re using is safe? submitted by /u/stuck-in-an-ide [link] [comments]

Hello AI Enthusiasts, Researchers, and Innovators! 🌐 Introducing the Global Artificial Intelligence Championships (GAIC) - where AI meets real-world challenges! Join us in this biannual contest designed to push the boundaries of AI in solving complex scientific problems. It’s your chance to be part of an international community driving innovation in AI! What’s the GAIC About? 🧠 Focused on applying AI in scientific problem-solving. 🌟 Showcasing AI solutions on a global stage. 🤝 Promoting innovation and collaboration in the AI world. March 2024 Contest: AI in Mathematics Registration: Open until March 1, 2024. Contest Date: March 16, 2024. Theme: Mathematics – test your AI in solving intricate math problems! Why You Should Compete: 🥇 $100,000 in Prizes: $75K for 1st, $20K for 2nd, and $5K for 3rd place. 🚀 Present your work at the Global AI Conference in June 2024 (with covered travel expenses!). 🌍 Compete against international talents. 🎓 Participate as an individual, team (up to 6 members), or organization. Key Details: 🕒 24-hour contest, starting at 12 AM Eastern Standard Time. 📚 Support in English with a variety of mathematical problems. 💻 Submissions via an API with detailed guidelines provided. No Registration Fee! ✔️ Free to enter, but ensure to agree to our competition rules and guidelines. Ensuring Fairness and Integrity: 👥 Anonymized judging to ensure impartiality. 📜 Rigorous measures to maintain the competition's integrity. Your Work, Your Rights: ✅ Participants retain ownership of their AI models. Stay Updated: 📩 Official communications via the GAIC portal or official email. 🛡️ Strict privacy and data security standards. Interested? Jump on board and register now at AGI Odyssey Registration. Let’s set new benchmarks in AI together! 🔎 Questions or need more info? Reach out at [hello@agiodyssey.org](mailto:hello@agiodyssey.org). We’re here to help! ​ ​ submitted by /u/AGI_Global_Lab [link] [comments]

I'm writing about the ethical considerations of AI, and looking for authoritative (or at least comprehensive) frameworks for AI ethics and principles. I'm specifically focused on AI alignment, harm reduction, AI risks and mitigation; but open to all topics around AI Ethics. So far I've found: Asilomar AI Principles European Commission's Ethics guidelines for trustworthy AI The IEEE Global Initiative On Ethics Of Autonomous And Intelligent Systems Are there any canonical frameworks for AI ethics? Are there others that should be in this list? Thanks! submitted by /u/uberdev [link] [comments]

I used to vibe with LeCun when he justified the usefulness of the VICReg method. Basically you take a batch of coupled views of samples, and you minimize an Invariance loss (embedding vectors of views from the same sample should be close in embedding space), while avoiding the Variance collapse (different samples should project to different points in embedding space, along every axis) without explicitly pulling apart negative samples with ad hoc losses and a number of comparisons that scales quadratically with the number of samples. He seemed also happy to not need momentum encoders or memory banks. Then with I-JEPA, he moved away from data augmentations, which makes sense, but got back to momentum encoder. DINO uses it too and justifies it as an ensemble of the old encoders, together stronger than the online encoder, which alone can be best, in a self-improving cycle. This makes sense too, more in JEPA than in MoCo maybe, because I kinda feel one could get away without momentum encoder if the memory bank queue is done right. But ok, if the momentum encoder is also a proxy for memory I get it. Why not have proper memories tho? What is the trade off between comparing samples in artificial batches of independent samples, and comparing embeddings from previous epochs? Can one avoid collapse (i.e. embedding every sample to the same point in space) without pulling contrastive negatives apart, and without asymmetric weights? What's the eventual research in these directions? In many applications and domains different from ImageNet friendliness, we can say: Contrastive data augmentations->bad Full reconstruction of input->bad Big batches->bad Asynchronous clustering->bad Momentum/memory? submitted by /u/reverendCappuccino [link] [comments]

Hello all. Let's say that I want to train an AI model to do the following stupid task: The AI scans everything I can see on my PC's monitor in real time, and whenever a picture of a cat appears, the AI puts an emojy image on the place where the cat picture is, hiding the cat. Assume that it's important that the emojy image will cover app only the specific part of the screen where a cat was displayed. Would training an AI like this be possible? and would that AI be able to perform well in real-time, on a mid-level PC? Assuming it's possible, how much PC resources do you estimate running the AI would take? excuse me if i used the wrong tag. submitted by /u/NissanProGamer [link] [comments]

In general, I'm trying to streamline a manual qualitative analysis. Model needs to be able to summarize text inputs, and describe them in writing in a not stiff way. My company has many thousands of blog posts written in our voice to train on. My mangers will be very hesitant to use Open.ai as we need to put data from our clients through the model. Even thought open.ai says they don't use API calls to train their model. So we need to either run open.ai a more secure way (like through Azure?) or somehow host it ourselves using a trained model. How would you approach getting a good creative writing output in a secure manner? Are there trusted companies or open source projects that focus on quality writing style? submitted by /u/low-code-Rachel [link] [comments]

Hi all, I hope this is OK to post here. Please delete if it in inappropriate. I am working on a project which is looking to digitise large volumes of medieval administrative records. This would encompass legal, financial, and other types of records which number in the hundreds of millions of words across a century or more. The records are in Latin and span a period of significant climatic instability (causing famines, plagues, pestilence). In the short term this project will only digitise in the tens or low hundreds of thousands of words but I want to give an idea of what might be possible if we received more support in the future. I am quite a basic person in terms of knowledge about what is possible computationally but I know more than the vast majority of my colleagues so I wanted to ask here and see what directions people might take it in. For example, the digitisation process currently involves training a model to recognise text from photographs of the manuscript and requires a lot of intervention until we have a big enough ground truth. I could envision a predictive text model which says 'based on the data already digitised I predict the following word could be one of x, y, z' and accompanied by a % of probability according to the text already known. This would sit alongside the visual model to help volunteers to decipher which word in the manuscript is the most likely. This is just a tiny example which has occurred to me but I wondered what people here (with far more knowledge than me) might want to do with such a large volume of data. The project will, eventually (probably 2025), make whatever data we have collected open for people to play around with. submitted by /u/newjack7 [link] [comments]

https://twitter.com/openreviewnet/status/1754978447456084195 Sounds like they've got some stuff developing in the background and are open to suggestions. What kind of service could they provide that would make our lives as researchers better? I personally think just a Twitter-like place to discuss papers would be a good enough start submitted by /u/DeepLearningOnTheDL [link] [comments]

submitted by /u/Elven77AI [link] [comments]

I am currently working on a interpretable autoencoder, but I was wondering what are the best use of autoencoder that requires interpretability ? What would be the use for you to being able to interpret or describe precisely the latent space? submitted by /u/tricycl3_ [link] [comments]

See this tweet for example, which I saw being shared by a (non-ML) software engineer in my network: https://x.com/pwang/status/1753445897583653139?s=20 (For those who don't want to click through, it got some considerable positive traction and says "When humanity does create AGI, it will be named Untitled14.ipynb") I've had to deal with a lot of frustrating interactions recently after we've had to collaborate with people who think that they can just copy and paste some messy data-wrangling code from a notebook into cronjob and call that a production ML system. And others who think that talking about the latest bleeding edge research papers they picked up from social media is a good substitute for knowing how to implement the core basics well. I feel like many of these people would have been fine if they'd been supported and advised properly at the start of their career so they knew what skills to invest their time in developing to become a decision scientist, researcher or MLE (or perhaps none of the above, and encouraged to go into something else they're better at). But instead they've been told that they can add value by becoming 'something in-between' - which is often actually something off to the side; not particularly good at software engineering, mathematics and not appreciative of the time and dedication needed to become a researcher in the field (or even understanding what a researcher contributes). I feel like the industry is slowly waking up to the fact that these people can only really make limited contributions and when that time comes, a lot of people will be out of a job or forced into unfulfilling alternatives. It saddens me because the responsibility for this really lies with the influencers who led them astray and the non-technical managers who failed to give them the support and mentorship they needed. submitted by /u/capguard [link] [comments]

I've been training a new model for the last 2 months, and was frustrated because I had to open WandB on my PC (it's not responsive on mobile, and it's buggy aswell), thus I created a super efficient and simple client for Mobile to watch training of your models and review metrics on the go and away from keyboard, it's completely private, none of your training/data/config is shared, For iOS: https://apps.apple.com/us/app/wandview/id6477268896?platform=iphone For Android: https://play.google.com/store/apps/details?id=com.read21.wandview.wandview Source Code: https://github.com/read21-org/wandview submitted by /u/simonthedungeon [link] [comments]

shashikg/WhisperS2T: An Optimized Speech-to-Text Pipeline for the Whisper Model Supporting Multiple Inference Engine (github.com) ​ Checkout the project by a colleague, providing 2-3x faster whisper inference than popular projects like whisperX or insanely-fast-whisper ​ Also provides lot of other convenience functions submitted by /u/Agent_SS_Athreya [link] [comments]

I'm doing a work that uses sequence data, but not specific to language. In a transformer-like network, instead of embedding layer for the source and target, I have linear layers; also, I send both source and target to the forward process. In a LSTM-like network, I don't even need this step, I just have the torch standard lstm cell; in this case, simply source is necessary for the forward pass. I'm looking to understand how Mamba works with this work, so I wanted to have a model that has Mamba's mechanisms, but I'm having difficulties on how I can define a model with it, both on forward pass and initialization. Does anyone has a code example on how we can use Mamba just like the LSTM and Transformer functions of pytorch? submitted by /u/Hopeful_Tie_5488 [link] [comments]

In the first post of this three-part series, we presented a solution that demonstrates how you can automate detecting document tampering and fraud at scale using AWS AI and machine learning (ML) services for a mortgage underwriting use case. In the second post, we discussed an approach to develop a deep learning-based computer vision model […]  ( 10 min )

The emergence of large language models (LLMs) has revolutionized the way people create text and interact with computing. However, these models are limited in ensuring the accuracy of the content they generate and enforcing strict compliance with specific formats, such as JSON and other computer programming languages. Additionally, LLMs that process information from multiple sources […] The post AI Controller Interface: Generative AI with a lightweight, LLM-integrated VM appeared first on Microsoft Research.  ( 11 min )

Research Focus: New Research Forum series explores bold ideas in the era of AI; LASER improves reasoning in language models; Cache-Efficient Top-k Aggregation over High Cardinality Large Datasets; Six Microsoft researchers named 2023 ACM Fellows. The post Research Focus: Week of February 5, 2024 appeared first on Microsoft Research.  ( 10 min )

Checkout how I trained a card game agent using A2C algorithm using tensorflow and openai gym. https://youtu.be/Odaa9T6PxkQ?si=qned3bP2n60eBGma submitted by /u/mehulgupta7991 [link] [comments]

Suppose we are in classical tic tac toe with a 3x3 board. Is it sufficient to simply have the DQN input size 18 (concatenated one-hot encoded vectors for each agent) and output size 9 (action space). Q1: Should states only be observed on the given agent's turn: should X only add to its replay buffer every other turn taken? Q2: How is the replay buffer supposed to be structured? Based on the DQN architecture, it seems like the replay buffer should contain elements of the form (s, a, s', r, terminal), with s being a vector of length 18. Is this the correct approach, or should the replay buffer contain histories: (h_t, a_t, h_t+1, r_t+1, terminal) where h_t is the sequence of states: (s0, s1, ..., st) [Relates to Q1 here as well]. If the replay buffer should be (h_t, a_t, h_t+1, r_t+1, terminal), then how should the DQN be structured to take inputs of variable size like h_t? submitted by /u/Top_Method_4623 [link] [comments]

I'm working on a traffic signal control problem and I would like to try other types of control algorithms other than the common RL algorithms. The problem is hard because we don't have a model of the system: The number of incoming vehicles is stochastic, it depends on the time of the day and the particular scenario The number of outgoing vehicles is also stochastic: when we give green to an approach, the number of vehicles that go through depends on how many are already waiting (measurable) the current position and speed of other vehicles on that road unmeasurable), the incoming flow (stochastic) On the other hand, the state space and action space are small and discrete, so they can be treated by a wide family of models/algorithms. Could you suggest some approaches other than common RL algorithms to solve the problem? I'm open to any non-RL solution but also to hybrid solutions. For example, I thought of try learning a supervised model of the system and apply MPC or planning with it. Are there other interesting things I could try? submitted by /u/fedetask [link] [comments]

With advances in computing, sophisticated AI models and machine learning are having a profound impact on business and society. Industries can use AI to quickly analyze vast bodies of data, allowing them to derive meaningful insights, make predictions and automate processes for greater efficiency. In the public sector, government agencies are achieving superior disaster preparedness. Read Article  ( 14 min )

Image by 10302144 from Pixabay Eric Baum in his book What Is Thinking? defines understanding as “a compressed representation of the world.” Another word for a representation is a model.  Understanding in Baum’s sense is a form of distillation and abstraction. Humans refine their level of understanding of a topic by reviewing examples of people,… Read More »A neurosymbolic AI approach to learning + reasoning The post A neurosymbolic AI approach to learning + reasoning appeared first on Data Science Central.  ( 22 min )

Misinformation, propaganda, and outright lies proliferate on the web, with some narratives having dangerous real-world consequences on public health, elections, and individual safety. However, despite the impact of misinformation, the research community largely lacks automated and programmatic approaches for tracking news narratives across online platforms. In this work, utilizing daily scrapes of 1,334 unreliable news websites, the large-language model MPNet, and DP-Means clustering, we introduce a system to automatically identify and track the narratives spread within online ecosystems. Identifying 52,036 narratives on these 1,334 websites, we describe the most prevalent narratives spread in 2022 and identify the most influential websites that originate and amplify narratives. Finally, we show how our system can be utilized to detect new narratives originating from unreliable news websites and to aid fact-checkers in more quickly addressing misinformation. We release code and data at https://github.com/hanshanley/specious-sites.

Generative Flow Networks (GFlowNets) are a new family of probabilistic samplers where an agent learns a stochastic policy for generating complex combinatorial structure through a series of decision-making steps. Despite being inspired from reinforcement learning, the current GFlowNet framework is relatively limited in its applicability and cannot handle stochasticity in the reward function. In this work, we adopt a distributional paradigm for GFlowNets, turning each flow function into a distribution, thus providing more informative learning signals during training. By parameterizing each edge flow through their quantile functions, our proposed \textit{quantile matching} GFlowNet learning algorithm is able to learn a risk-sensitive policy, an essential component for handling scenarios with risk uncertainty. Moreover, we find that the distributional approach can achieve substantial improvement on existing benchmarks compared to prior methods due to our enhanced training algorithm, even in settings with deterministic rewards.

A variety of defenses have been proposed against backdoors attacks on deep neural network (DNN) classifiers. Universal methods seek to reliably detect and/or mitigate backdoors irrespective of the incorporation mechanism used by the attacker, while reverse-engineering methods often explicitly assume one. In this paper, we describe a new detector that: relies on internal feature map of the defended DNN to detect and reverse-engineer the backdoor and identify its target class; can operate post-training (without access to the training dataset); is highly effective for various incorporation mechanisms (i.e., is universal); and which has low computational overhead and so is scalable. Our detection approach is evaluated for different attacks on a benchmark CIFAR-10 image classifier.

Recent advancements on Large Language Models (LLMs) enable AI Agents to automatically generate and execute multi-step plans to solve complex tasks. However, since LLM's content generation process is hardly controllable, current LLM-based agents frequently generate invalid or non-executable plans, which jeopardizes the performance of the generated plans and corrupts users' trust in LLM-based agents. In response, this paper proposes a novel ``Formal-LLM'' framework for LLM-based agents by integrating the expressiveness of natural language and the precision of formal language. Specifically, the framework allows human users to express their requirements or constraints for the planning process as an automaton. A stack-based LLM plan generation process is then conducted under the supervision of the automaton to ensure that the generated plan satisfies the constraints, making the planning process controllable. We conduct experiments on both benchmark tasks and practical real-life tasks, and our framework achieves over 50% overall performance increase, which validates the feasibility and effectiveness of employing Formal-LLM to guide the plan generation of agents, preventing the agents from generating invalid and unsuccessful plans. Further, more controllable LLM-based agents can facilitate the broader utilization of LLM in application scenarios where high validity of planning is essential. The work is open-sourced at https://github.com/agiresearch/Formal-LLM.

The integration of Federated Learning (FL) and Self-supervised Learning (SSL) offers a unique and synergetic combination to exploit the audio data for general-purpose audio understanding, without compromising user data privacy. However, rare efforts have been made to investigate the SSL models in the FL regime for general-purpose audio understanding, especially when the training data is generated by large-scale heterogeneous audio sources. In this paper, we evaluate the performance of feature-matching and predictive audio-SSL techniques when integrated into large-scale FL settings simulated with non-independently identically distributed (non-iid) data. We propose a novel Federated SSL (F-SSL) framework, dubbed FASSL, that enables learning intermediate feature representations from large-scale decentralized heterogeneous clients, holding unlabelled audio data. Our study has found that audio F-SSL approaches perform on par with the centralized audio-SSL approaches on the audio-retrieval task. Extensive experiments demonstrate the effectiveness and significance of FASSL as it assists in obtaining the optimal global model for state-of-the-art FL aggregation methods.

Recent text-to-image diffusion models have shown surprising performance in generating high-quality images. However, concerns have arisen regarding the unauthorized data usage during the training or fine-tuning process. One example is when a model trainer collects a set of images created by a particular artist and attempts to train a model capable of generating similar images without obtaining permission and giving credit to the artist. To address this issue, we propose a method for detecting such unauthorized data usage by planting the injected memorization into the text-to-image diffusion models trained on the protected dataset. Specifically, we modify the protected images by adding unique contents on these images using stealthy image warping functions that are nearly imperceptible to humans but can be captured and memorized by diffusion models. By analyzing whether the model has memorized the injected content (i.e., whether the generated images are processed by the injected post-processing function), we can detect models that had illegally utilized the unauthorized data. Experiments on Stable Diffusion and VQ Diffusion with different model training or fine-tuning methods (i.e, LoRA, DreamBooth, and standard training) demonstrate the effectiveness of our proposed method in detecting unauthorized data usages. Code: https://github.com/ZhentingWang/DIAGNOSIS.

Switchback experimental design, wherein a single unit (e.g., a whole system) is exposed to a single random treatment for interspersed blocks of time, tackles both cross-unit and temporal interference. Hu and Wager (2022) recently proposed a treatment-effect estimator that truncates the beginnings of blocks and established a $T^{-1/3}$ rate for estimating the global average treatment effect (GATE) in a Markov setting with rapid mixing. They claim this rate is optimal and suggest focusing instead on a different (and design-dependent) estimand so as to enjoy a faster rate. For the same design we propose an alternative estimator that uses the whole block and surprisingly show that it in fact achieves an estimation rate of $\sqrt{\log T/T}$ for the original design-independent GATE estimand under the same assumptions.

Unsupervised learning aims to capture the underlying structure of potentially large and high-dimensional datasets. Traditionally, this involves using dimensionality reduction methods to project data onto interpretable spaces or organizing points into meaningful clusters. In practice, these methods are used sequentially, without guaranteeing that the clustering aligns well with the conducted dimensionality reduction. In this work, we offer a fresh perspective: that of distributions. Leveraging tools from optimal transport, particularly the Gromov-Wasserstein distance, we unify clustering and dimensionality reduction into a single framework called distributional reduction. This allows us to jointly address clustering and dimensionality reduction with a single optimization problem. Through comprehensive experiments, we highlight the versatility and interpretability of our method and show that it outperforms existing approaches across a variety of image and genomics datasets.

Language models contain ranking-based knowledge and are powerful solvers of in-context ranking tasks. For instance, they may have parametric knowledge about the ordering of countries by size or may be able to rank product reviews by sentiment. We compare pairwise, pointwise and listwise prompting techniques to elicit a language model's ranking knowledge. However, we find that even with careful calibration and constrained decoding, prompting-based techniques may not always be self-consistent in the rankings they produce. This motivates us to explore an alternative approach that is inspired by an unsupervised probing method called Contrast-Consistent Search (CCS). The idea is to train a probe guided by a logical constraint: a language model's representation of a statement and its negation must be mapped to contrastive true-false poles consistently across multiple statements. We hypothesize that similar constraints apply to ranking tasks where all items are related via consistent, pairwise or listwise comparisons. To this end, we extend the binary CCS method to Contrast-Consistent Ranking (CCR) by adapting existing ranking methods such as the Max-Margin Loss, Triplet Loss and an Ordinal Regression objective. Across different models and datasets, our results confirm that CCR probing performs better or, at least, on a par with prompting.

The adoption of deep learning in ECG diagnosis is often hindered by the scarcity of large, well-labeled datasets in real-world scenarios, leading to the use of transfer learning to leverage features learned from larger datasets. Yet the prevailing assumption that transfer learning consistently outperforms training from scratch has never been systematically validated. In this study, we conduct the first extensive empirical study on the effectiveness of transfer learning in multi-label ECG classification, by investigating comparing the fine-tuning performance with that of training from scratch, covering a variety of ECG datasets and deep neural networks. We confirm that fine-tuning is the preferable choice for small downstream datasets; however, when the dataset is sufficiently large, training from scratch can achieve comparable performance, albeit requiring a longer training time to catch up. Furthermore, we find that transfer learning exhibits better compatibility with convolutional neural networks than with recurrent neural networks, which are the two most prevalent architectures for time-series ECG applications. Our results underscore the importance of transfer learning in ECG diagnosis, yet depending on the amount of available data, researchers may opt not to use it, considering the non-negligible cost associated with pre-training.

Recognizing interactive actions, including hand-to-hand interaction and human-to-human interaction, has attracted increasing attention for various applications in the field of video analysis and human-robot interaction. Considering the success of graph convolution in modeling topology-aware features from skeleton data, recent methods commonly operate graph convolution on separate entities and use late fusion for interactive action recognition, which can barely model the mutual semantic relationships between pairwise entities. To this end, we propose a mutual excitation graph convolutional network (me-GCN) by stacking mutual excitation graph convolution (me-GC) layers. Specifically, me-GC uses a mutual topology excitation module to firstly extract adjacency matrices from individual entities and then adaptively model the mutual constraints between them. Moreover, me-GC extends the above idea and further uses a mutual feature excitation module to extract and merge deep features from pairwise entities. Compared with graph convolution, our proposed me-GC gradually learns mutual information in each layer and each stage of graph convolution operations. Extensive experiments on a challenging hand-to-hand interaction dataset, i.e., the Assembely101 dataset, and two large-scale human-to-human interaction datasets, i.e., NTU60-Interaction and NTU120-Interaction consistently verify the superiority of our proposed method, which outperforms the state-of-the-art GCN-based and Transformer-based methods.

Epilepsy affects more than 50 million people worldwide, making it one of the world's most prevalent neurological diseases. The main symptom of epilepsy is seizures, which occur abruptly and can cause serious injury or death. The ability to predict the occurrence of an epileptic seizure could alleviate many risks and stresses people with epilepsy face. We formulate the problem of detecting preictal (or pre-seizure) with reference to normal EEG as a precursor to incoming seizure. To this end, we developed several supervised deep learning approaches to identify preictal EEG from normal EEG. We further develop novel unsupervised deep learning approaches to train the models on only normal EEG, and detecting pre-seizure EEG as an anomalous event. These deep learning models were trained and evaluated on two large EEG seizure datasets in a person-specific manner. We found that both supervised and unsupervised approaches are feasible; however, their performance varies depending on the patient, approach and architecture. This new line of research has the potential to develop therapeutic interventions and save human lives.

Structured, or tabular, data is the most common format in data science. While deep learning models have proven formidable in learning from unstructured data such as images or speech, they are less accurate than simpler approaches when learning from tabular data. In contrast, modern tree-based Machine Learning (ML) models shine in extracting relevant information from structured data. An essential requirement in data science is to reduce model inference latency in cases where, for example, models are used in a closed loop with simulation to accelerate scientific discovery. However, the hardware acceleration community has mostly focused on deep neural networks and largely ignored other forms of machine learning. Previous work has described the use of an analog content addressable memory (CAM) component for efficiently mapping random forests. In this work, we focus on an overall analog-digital architecture implementing a novel increased precision analog CAM and a programmable network on chip allowing the inference of state-of-the-art tree-based ML models, such as XGBoost and CatBoost. Results evaluated in a single chip at 16nm technology show 119x lower latency at 9740x higher throughput compared with a state-of-the-art GPU, with a 19W peak power consumption.

As artificial intelligence (AI) is playing an increasingly important role in our society and global economy, AI education and literacy have become necessary components in college and K-12 education to prepare students for an AI-powered society. However, current AI curricula have not yet been made accessible and engaging enough for students and schools from all socio-economic backgrounds with different educational goals. In this work, we developed an open-source learning module for college and high school students, which allows students to build their own robot companion from the ground up. This open platform can be used to provide hands-on experience and introductory knowledge about various aspects of AI, including robotics, machine learning (ML), software engineering, and mechanical engineering. Because of the social and personal nature of a socially assistive robot companion, this module also puts a special emphasis on human-centered AI, enabling students to develop a better understanding of human-AI interaction and AI ethics through hands-on learning activities. With open-source documentation, assembling manuals and affordable materials, students from different socio-economic backgrounds can personalize their learning experience based on their individual educational goals. To evaluate the student-perceived quality of our module, we conducted a usability testing workshop with 15 college students recruited from a minority-serving institution. Our results indicate that our AI module is effective, easy-to-follow, and engaging, and it increases student interest in studying AI/ML and robotics in the future. We hope that this work will contribute toward accessible and engaging AI education in human-AI interaction for college and high school students.

There is considerable confusion about the role of Large Language Models (LLMs) in planning and reasoning tasks. On one side are over-optimistic claims that LLMs can indeed do these tasks with just the right prompting or self-verification strategies. On the other side are perhaps over-pessimistic claims that all that LLMs are good for in planning/reasoning tasks are as mere translators of the problem specification from one syntactic format to another, and ship the problem off to external symbolic solvers. In this position paper, we take the view that both these extremes are misguided. We argue that auto-regressive LLMs cannot, by themselves, do planning or self-verification (which is after all a form of reasoning), and shed some light on the reasons for misunderstandings in the literature. We will also argue that LLMs should be viewed as universal approximate knowledge sources that have much more meaningful roles to play in planning/reasoning tasks beyond simple front-end/back-end format translators. We present a vision of {\bf LLM-Modulo Frameworks} that combine the strengths of LLMs with external model-based verifiers in a tighter bi-directional interaction regime. We will show how the models driving the external verifiers themselves can be acquired with the help of LLMs. We will also argue that rather than simply pipelining LLMs and symbolic components, this LLM-Modulo Framework provides a better neuro-symbolic approach that offers tighter integration between LLMs and symbolic components, and allows extending the scope of model-based planning/reasoning regimes towards more flexible knowledge, problem and preference specifications.

Recently, vision-language models like CLIP have advanced the state of the art in a variety of multi-modal tasks including image captioning and caption evaluation. Many approaches adapt CLIP-style models to a downstream task by training a mapping network between CLIP and a language model. This is costly as it usually involves calculating gradients for large models. We propose a more efficient training protocol that fits a linear mapping between image and text embeddings of CLIP via a closed-form solution. This bypasses the need for gradient computation and results in a lightweight captioning method called ReCap, which can be trained up to 1000 times faster than existing lightweight methods. Moreover, we propose two new learning-based image-captioning metrics that build on CLIP score along with our linear mapping. Furthermore, we combine ReCap with our new metrics to design an iterative datastore-augmentation loop (DAL) based on synthetic captions. We evaluate ReCap on MS-COCO, Flickr30k, VizWiz, and MSRVTT. ReCap achieves performance comparable to state-of-the-art lightweight methods on established metrics while outperforming them on our new metrics, which are better aligned with human ratings on Flickr8k-Expert and Flickr8k-Crowdflower. Finally, we demonstrate that ReCap transfers well to other domains and that our DAL leads to a performance boost.

Current theoretical and empirical research in neural networks suggests that complex datasets require large network architectures for thorough classification, yet the precise nature of this relationship remains unclear. This paper tackles this issue by defining upper and lower bounds for neural network widths, which are informed by the polytope structure of the dataset in question. We also delve into the application of these principles to simplicial complexes and specific manifold shapes, explaining how the requirement for network width varies in accordance with the geometric complexity of the dataset. Moreover, we develop an algorithm to investigate a converse situation where the polytope structure of a dataset can be inferred from its corresponding trained neural networks. Through our algorithm, it is established that popular datasets such as MNIST, Fashion-MNIST, and CIFAR10 can be efficiently encapsulated using no more than two polytopes with a small number of faces.

As language model agents leveraging external tools rapidly evolve, significant progress has been made in question-answering(QA) methodologies utilizing supplementary documents and the Retrieval-Augmented Generation (RAG) approach. This advancement has improved the response quality of language models and alleviates the appearance of hallucination. However, these methods exhibit limited retrieval accuracy when faced with massive indistinguishable documents, presenting notable challenges in their practical application. In response to these emerging challenges, we present HiQA, an advanced framework for multi-document question-answering (MDQA) that integrates cascading metadata into content as well as a multi-route retrieval mechanism. We also release a benchmark called MasQA to evaluate and research in MDQA. Finally, HiQA demonstrates the state-of-the-art performance in multi-document environments.

The equivalence of realizable and agnostic learnability is a fundamental phenomenon in learning theory. With variants ranging from classical settings like PAC learning and regression to recent trends such as adversarially robust learning, it's surprising that we still lack a unified theory; traditional proofs of the equivalence tend to be disparate, and rely on strong model-specific assumptions like uniform convergence and sample compression. In this work, we give the first model-independent framework explaining the equivalence of realizable and agnostic learnability: a three-line blackbox reduction that simplifies, unifies, and extends our understanding across a wide variety of settings. This includes models with no known characterization of learnability such as learning with arbitrary distributional assumptions and more general loss functions, as well as a host of other popular settings such as robust learning, partial learning, fair learning, and the statistical query model. More generally, we argue that the equivalence of realizable and agnostic learning is actually a special case of a broader phenomenon we call property generalization: any desirable property of a learning algorithm (e.g. noise tolerance, privacy, stability) that can be satisfied over finite hypothesis classes extends (possibly in some variation) to any learnable hypothesis class.

We present a label-free method for detecting anomalies during thermographic inspection of building envelopes. It is based on the AI-driven prediction of thermal distributions from color images. Effectively the method performs as a one-class classifier of the thermal image regions with high mismatch between the predicted and actual thermal distributions. The algorithm can learn to identify certain features as normal or anomalous by selecting the target sample used for training. We demonstrated this principle by training the algorithm with data collected at different outdoors temperature, which lead to the detection of thermal bridges. The method can be implemented to assist human professionals during routine building inspections or combined with mobile platforms for automating examination of large areas.

Variational autoencoders (VAEs) are one of the deep generative models that have experienced enormous success over the past decades. However, in practice, they suffer from a problem called posterior collapse, which occurs when the encoder coincides, or collapses, with the prior taking no information from the latent structure of the input data into consideration. In this work, we introduce an inverse Lipschitz neural network into the decoder and, based on this architecture, provide a new method that can control in a simple and clear manner the degree of posterior collapse for a wide range of VAE models equipped with a concrete theoretical guarantee. We also illustrate the effectiveness of our method through several numerical experiments.

It is widely held that one cause of downstream bias in classifiers is bias present in the training data. Rectifying such biases may involve context-dependent interventions such as training separate models on subgroups, removing features with bias in the collection process, or even conducting real-world experiments to ascertain sources of bias. Despite the need for such data bias investigations, few automated methods exist to assist practitioners in these efforts. In this paper, we present one such method that given a dataset $X$ consisting of protected and unprotected features, outcomes $y$, and a regressor $h$ that predicts $y$ given $X$, outputs a tuple $(f_j, g)$, with the following property: $g$ corresponds to a subset of the training dataset $(X, y)$, such that the $j^{th}$ feature $f_j$ has much larger (or smaller) influence in the subgroup $g$, than on the dataset overall, which we call feature importance disparity (FID). We show across $4$ datasets and $4$ common feature importance methods of broad interest to the machine learning community that we can efficiently find subgroups with large FID values even over exponentially large subgroup classes and in practice these groups correspond to subgroups with potentially serious bias issues as measured by standard fairness metrics.

Learning performance data (e.g., quiz scores and attempts) is significant for understanding learner engagement and knowledge mastery level. However, the learning performance data collected from Intelligent Tutoring Systems (ITSs) often suffers from sparsity, impacting the accuracy of learner modeling and knowledge assessments. To address this, we introduce the 3DG framework (3-Dimensional tensor for Densification and Generation), a novel approach combining tensor factorization with advanced generative models, including Generative Adversarial Network (GAN) and Generative Pre-trained Transformer (GPT), for enhanced data imputation and augmentation. The framework operates by first representing the data as a three-dimensional tensor, capturing dimensions of learners, questions, and attempts. It then densifies the data through tensor factorization and augments it using Generative AI models, tailored to individual learning patterns identified via clustering. Applied to data from an AutoTutor lesson by the Center for the Study of Adult Literacy (CSAL), the 3DG framework effectively generated scalable, personalized simulations of learning performance. Comparative analysis revealed GAN's superior reliability over GPT-4 in this context, underscoring its potential in addressing data sparsity challenges in ITSs and contributing to the advancement of personalized educational technology.

The process of extracting valuable and novel insights from raw data involves a series of complex steps. In the realm of Automated Machine Learning (AutoML), a significant research focus is on automating aspects of this process, specifically tasks like selecting algorithms and optimising their hyper-parameters. A particularly challenging task in AutoML is automatic workflow composition (AWC). AWC aims to identify the most effective sequence of data preprocessing and ML algorithms, coupled with their best hyper-parameters, for a specific dataset. However, existing AWC methods are limited in how many and in what ways they can combine algorithms within a workflow. Addressing this gap, this paper introduces EvoFlow, a grammar-based evolutionary approach for AWC. EvoFlow enhances the flexibility in designing workflow structures, empowering practitioners to select algorithms that best fit their specific requirements. EvoFlow stands out by integrating two innovative features. First, it employs a suite of genetic operators, designed specifically for AWC, to optimise both the structure of workflows and their hyper-parameters. Second, it implements a novel updating mechanism that enriches the variety of predictions made by different workflows. Promoting this diversity helps prevent the algorithm from overfitting. With this aim, EvoFlow builds an ensemble whose workflows differ in their misclassified instances. To evaluate EvoFlow's effectiveness, we carried out empirical validation using a set of classification benchmarks. We begin with an ablation study to demonstrate the enhanced performance attributable to EvoFlow's unique components. Then, we compare EvoFlow with other AWC approaches, encompassing both evolutionary and non-evolutionary techniques. Our findings show that EvoFlow's specialised genetic operators and updating mechanism substantially outperform current leading methods[..]

The accelerated development of machine learning methods, primarily deep learning, are causal to the recent breakthroughs in medical image analysis and computer aided intervention. The resource consumption of deep learning models in terms of amount of training data, compute and energy costs are known to be massive. These large resource costs can be barriers in deploying these models in clinics, globally. To address this, there are cogent efforts within the machine learning community to introduce notions of resource efficiency. For instance, using quantisation to alleviate memory consumption. While most of these methods are shown to reduce the resource utilisation, they could come at a cost in performance. In this work, we probe into the trade-off between resource consumption and performance, specifically, when dealing with models that are used in critical settings such as in clinics.

Generative AI and LLMs in particular are heavily used nowadays for various document processing tasks such as question answering and summarization. However, different LLMs come with different capabilities for different tasks as well as with different costs, tokenization, and latency. In fact, enterprises are already incurring huge costs of operating or using LLMs for their respective use cases. In this work, we propose optimizing the usage costs of LLMs by estimating their output quality (without actually invoking the LLMs), and then solving an optimization routine for the LLM selection to either keep costs under a budget, or minimize the costs, in a quality and latency aware manner. We propose a model to predict the output quality of LLMs on document processing tasks like summarization, followed by an LP rounding algorithm to optimize the selection of LLMs. We study optimization problems trading off the quality and costs, both theoretically and empirically. We further propose a sentence simplification model for reducing the number of tokens in a controlled manner. Additionally, we propose several deterministic heuristics for reducing tokens in a quality aware manner, and study the related optimization problem of applying the heuristics optimizing the quality and cost trade-off. We perform extensive empirical validation of our methods on not only enterprise datasets but also on open-source datasets, annotated by us, and show that we perform much better compared to closest baselines. Our methods reduce costs by 40%- 90% while improving quality by 4%-7%. We will release the annotated open source datasets to the community for further research and exploration.

Modeling symmetry breaking is essential for understanding the fundamental changes in the behaviors and properties of physical systems, from microscopic particle interactions to macroscopic phenomena like fluid dynamics and cosmic structures. Thus, identifying sources of asymmetry is an important tool for understanding physical systems. In this paper, we focus on learning asymmetries of data using relaxed group convolutions. We provide both theoretical and empirical evidence that this flexible convolution technique allows the model to maintain the highest level of equivariance that is consistent with data and discover the subtle symmetry-breaking factors in various physical systems. We employ various relaxed group convolution architectures to uncover various symmetry-breaking factors that are interpretable and physically meaningful in different physical systems, including the phase transition of crystal structure, the isotropy and homogeneity breaking in turbulent flow, and the time-reversal symmetry breaking in pendulum systems.

Contextual Markov decision processes (CMDPs) describe a class of reinforcement learning problems in which the transition kernels and reward functions can change over time with different MDPs indexed by a context variable. While CMDPs serve as an important framework to model many real-world applications with time-varying environments, they are largely unexplored from theoretical perspective. In this paper, we study CMDPs under two linear function approximation models: Model I with context-varying representations and common linear weights for all contexts; and Model II with common representations for all contexts and context-varying linear weights. For both models, we propose novel model-based algorithms and show that they enjoy guaranteed $\epsilon$-suboptimality gap with desired polynomial sample complexity. In particular, instantiating our result for the first model to the tabular CMDP improves the existing result by removing the reachability assumption. Our result for the second model is the first-known result for such a type of function approximation models. Comparison between our results for the two models further indicates that having context-varying features leads to much better sample efficiency than having common representations for all contexts under linear CMDPs.

Text embedding models have emerged as powerful tools for transforming sentences into fixed-sized feature vectors that encapsulate semantic information. While these models are essential for tasks like information retrieval, semantic clustering, and text re-ranking, most existing open-source models, especially those built on architectures like BERT, struggle to represent lengthy documents and often resort to truncation. One common approach to mitigate this challenge involves splitting documents into smaller paragraphs for embedding. However, this strategy results in a much larger set of vectors, consequently leading to increased memory consumption and computationally intensive vector searches with elevated latency. To address these challenges, we introduce Jina Embeddings 2, an open-source text embedding model capable of accommodating up to 8192 tokens. This model is designed to transcend the conventional 512-token limit and adeptly process long documents. Jina Embeddings 2 not only achieves state-of-the-art performance on a range of embedding-related tasks in the MTEB benchmark but also matches the performance of OpenAI's proprietary ada-002 model. Additionally, our experiments indicate that an extended context can enhance performance in tasks such as NarrativeQA.

Vaccine concerns are an ever-evolving target, and can shift quickly as seen during the COVID-19 pandemic. Identifying longitudinal trends in vaccine concerns and misinformation might inform the healthcare space by helping public health efforts strategically allocate resources or information campaigns. We explore the task of detecting vaccine concerns in online discourse using large language models (LLMs) in a zero-shot setting without the need for expensive training datasets. Since real-time monitoring of online sources requires large-scale inference, we explore cost-accuracy trade-offs of different prompting strategies and offer concrete takeaways that may inform choices in system designs for current applications. An analysis of different prompting strategies reveals that classifying the concerns over multiple passes through the LLM, each consisting a boolean question whether the text mentions a vaccine concern or not, works the best. Our results indicate that GPT-4 can strongly outperform crowdworker accuracy when compared to ground truth annotations provided by experts on the recently introduced VaxConcerns dataset, achieving an overall F1 score of 78.7%.

Prompted weak supervision (PromptedWS) applies pre-trained large language models (LLMs) as the basis for labeling functions (LFs) in a weak supervision framework to obtain large labeled datasets. We further extend the use of LLMs in the loop to address one of the key challenges in weak supervision: learning the statistical dependency structure among supervision sources. In this work, we ask the LLM how similar are these prompted LFs. We propose a Structure Refining Module, a simple yet effective first approach based on the similarities of the prompts by taking advantage of the intrinsic structure in the embedding space. At the core of Structure Refining Module are Labeling Function Removal (LaRe) and Correlation Structure Generation (CosGen). Compared to previous methods that learn the dependencies from weak labels, our method finds the dependencies which are intrinsic to the LFs and less dependent on the data. We show that our Structure Refining Module improves the PromptedWS pipeline by up to 12.7 points on the benchmark tasks. We also explore the trade-offs between efficiency and performance with comprehensive ablation experiments and analysis. Code for this project can be found in https://github.com/BatsResearch/su-bigdata23-code.

Fine-tuning and testing a multilingual large language model is expensive and challenging for low-resource languages (LRLs). While previous studies have predicted the performance of natural language processing (NLP) tasks using machine learning methods, they primarily focus on high-resource languages, overlooking LRLs and shifts across domains. Focusing on LRLs, we investigate three factors: the size of the fine-tuning corpus, the domain similarity between fine-tuning and testing corpora, and the language similarity between source and target languages. We employ classical regression models to assess how these factors impact the model's performance. Our results indicate that domain similarity has the most critical impact on predicting the performance of Machine Translation models.

Influenza viruses mutate rapidly and can pose a threat to public health, especially to those in vulnerable groups. Throughout history, influenza A viruses have caused pandemics between different species. It is important to identify the origin of a virus in order to prevent the spread of an outbreak. Recently, there has been increasing interest in using machine learning algorithms to provide fast and accurate predictions for viral sequences. In this study, real testing data sets and a variety of evaluation metrics were used to evaluate machine learning algorithms at different taxonomic levels. As hemagglutinin is the major protein in the immune response, only hemagglutinin sequences were used and represented by position-specific scoring matrix and word embedding. The results suggest that the 5-grams-transformer neural network is the most effective algorithm for predicting viral sequence origins, with approximately 99.54% AUCPR, 98.01% F1 score and 96.60% MCC at a higher classification level, and approximately 94.74% AUCPR, 87.41% F1 score and 80.79% MCC at a lower classification level.

Recently, language models (LMs), especially large language models (LLMs), have revolutionized the field of deep learning. Both encoder-decoder models and prompt-based techniques have shown immense potential for natural language processing and code-based tasks. Over the past several years, many research labs and institutions have invested heavily in high-performance computing, approaching or breaching exascale performance levels. In this paper, we posit that adapting and utilizing such language model-based techniques for tasks in high-performance computing (HPC) would be very beneficial. This study presents our reasoning behind the aforementioned position and highlights how existing ideas can be improved and adapted for HPC tasks.

Generative adversarial network (GAN) models can synthesize highquality audio signals while ensuring fast sample generation. However, they are difficult to train and are prone to several issues including mode collapse and divergence. In this paper, we introduce SpecDiff-GAN, a neural vocoder based on HiFi-GAN, which was initially devised for speech synthesis from mel spectrogram. In our model, the training stability is enhanced by means of a forward diffusion process which consists in injecting noise from a Gaussian distribution to both real and fake samples before inputting them to the discriminator. We further improve the model by exploiting a spectrally-shaped noise distribution with the aim to make the discriminator's task more challenging. We then show the merits of our proposed model for speech and music synthesis on several datasets. Our experiments confirm that our model compares favorably in audio quality and efficiency compared to several baselines.

This paper introduces Bayesian Flow Networks (BFNs), a new class of generative model in which the parameters of a set of independent distributions are modified with Bayesian inference in the light of noisy data samples, then passed as input to a neural network that outputs a second, interdependent distribution. Starting from a simple prior and iteratively updating the two distributions yields a generative procedure similar to the reverse process of diffusion models; however it is conceptually simpler in that no forward process is required. Discrete and continuous-time loss functions are derived for continuous, discretised and discrete data, along with sample generation procedures. Notably, the network inputs for discrete data lie on the probability simplex, and are therefore natively differentiable, paving the way for gradient-based sample guidance and few-step generation in discrete domains such as language modelling. The loss function directly optimises data compression and places no restrictions on the network architecture. In our experiments BFNs achieve competitive log-likelihoods for image modelling on dynamically binarized MNIST and CIFAR-10, and outperform all known discrete diffusion models on the text8 character-level language modelling task.

A Large Language Model~(LLM) is considered consistent if semantically equivalent prompts produce semantically equivalent responses. Despite recent advancements showcasing the impressive capabilities of LLMs in conversational systems, we show that even state-of-the-art LLMs are highly inconsistent in their generations, questioning their reliability. Prior research has tried to measure this with task-specific accuracies. However, this approach is unsuitable for moral scenarios, such as the trolley problem, with no ``correct'' answer. To address this issue, we propose a novel information-theoretic measure called Semantic Graph Entropy~(SGE) to measure the consistency of an LLM in moral scenarios. We leverage ``Rules of Thumb''~(RoTs) to explain a model's decision-making strategies and further enhance our metric. Compared to existing consistency metrics, SGE correlates better with human judgments across five LLMs. In the future, we aim to investigate the root causes of LLM inconsistencies and propose improvements.

Large Language Models (LLMs) have seen significant use in domains such as natural language processing and computer vision. Going beyond text, image and graphics, LLMs present a significant potential for analysis of time series data, benefiting domains such as climate, IoT, healthcare, traffic, audio and finance. This survey paper provides an in-depth exploration and a detailed taxonomy of the various methodologies employed to harness the power of LLMs for time series analysis. We address the inherent challenge of bridging the gap between LLMs' original text data training and the numerical nature of time series data, and explore strategies for transferring and distilling knowledge from LLMs to numerical time series analysis. We detail various methodologies, including (1) direct prompting of LLMs, (2) time series quantization, (3) alignment techniques, (4) utilization of the vision modality as a bridging mechanism, and (5) the combination of LLMs with tools. Additionally, this survey offers a comprehensive overview of the existing multimodal time series and text datasets and delves into the challenges and future opportunities of this emerging field. We maintain an up-to-date Github repository which includes all the papers and datasets discussed in the survey.

This paper aims to answer the question: Can deep learning models be cost-efficiently trained on a global market of spot VMs spanning different data centers and cloud providers? To provide guidance, we extensively evaluate the cost and throughput implications of training in different zones, continents, and clouds for representative CV, NLP, and ASR models. To expand the current training options further, we compare the scalability potential for hybrid-cloud scenarios by adding cloud resources to on-premise hardware to improve training throughput. Finally, we show how leveraging spot instance pricing enables a new cost-efficient way to train models with multiple cheap VMs, trumping both more centralized and powerful hardware and even on-demand cloud offerings at competitive prices.

Deep graph models (e.g., graph neural networks and graph transformers) have become important techniques for leveraging knowledge across various types of graphs. Yet, the scaling properties of deep graph models have not been systematically investigated, casting doubt on the feasibility of achieving large graph models through enlarging the model and dataset sizes. In this work, we delve into neural scaling laws on graphs from both model and data perspectives. We first verify the validity of such laws on graphs, establishing formulations to describe the scaling behaviors. For model scaling, we investigate the phenomenon of scaling law collapse and identify overfitting as the potential reason. Moreover, we reveal that the model depth of deep graph models can impact the model scaling behaviors, which differ from observations in other domains such as CV and NLP. For data scaling, we suggest that the number of graphs can not effectively metric the graph data volume in scaling law since the sizes of different graphs are highly irregular. Instead, we reform the data scaling law with the number of edges as the metric to address the irregular graph sizes. We further demonstrate the reformed law offers a unified view of the data scaling behaviors for various fundamental graph tasks including node classification, link prediction, and graph classification. This work provides valuable insights into neural scaling laws on graphs, which can serve as an essential step toward large graph models.

This document contains lectures and practical experimentations using Matlab and implementing a system which is actually correctly classifying three words (one, two and three) with the help of a very small database. To achieve this performance, it uses speech modeling specificities, powerful computer algorithms (dynamic time warping and Dijktra's algorithm) and machine learning (nearest neighbor). This document introduces also some machine learning evaluation metrics.

Accurate medical image segmentation demands the integration of multi-scale information, spanning from local features to global dependencies. However, it is challenging for existing methods to model long-range global information, where convolutional neural networks (CNNs) are constrained by their local receptive fields, and vision transformers (ViTs) suffer from high quadratic complexity of their attention mechanism. Recently, Mamba-based models have gained great attention for their impressive ability in long sequence modeling. Several studies have demonstrated that these models can outperform popular vision models in various tasks, offering higher accuracy, lower memory consumption, and less computational burden. However, existing Mamba-based models are mostly trained from scratch and do not explore the power of pretraining, which has been proven to be quite effective for data-efficient medical image analysis. This paper introduces a novel Mamba-based model, Swin-UMamba, designed specifically for medical image segmentation tasks, leveraging the advantages of ImageNet-based pretraining. Our experimental results reveal the vital role of ImageNet-based training in enhancing the performance of Mamba-based models. Swin-UMamba demonstrates superior performance with a large margin compared to CNNs, ViTs, and latest Mamba-based models. Notably, on AbdomenMRI, Encoscopy, and Microscopy datasets, Swin-UMamba outperforms its closest counterpart U-Mamba by an average score of 3.58%. The code and models of Swin-UMamba are publicly available at: https://github.com/JiarunLiu/Swin-UMamba

Language models deployed in the wild make errors. However, simply updating the model with the corrected error instances causes catastrophic forgetting -- the updated model makes errors on instances learned during the instruction tuning or upstream training phase. Randomly replaying upstream data yields unsatisfactory performance and often comes with high variance and poor controllability. To this end, we try to forecast upstream examples that will be forgotten due to a model update for improved controllability of the replay process and interpretability. We train forecasting models given a collection of online learned examples and corresponding forgotten upstream pre-training examples. We propose a partially interpretable forecasting model based on the observation that changes in pre-softmax logit scores of pretraining examples resemble that of online learned examples, which performs decently on BART but fails on T5 models. We further show a black-box classifier based on inner products of example representations achieves better forecasting performance over a series of setups. Finally, we show that we reduce forgetting of upstream pretraining examples by replaying examples that are forecasted to be forgotten, demonstrating the practical utility of forecasting example forgetting.

There has been a long-standing and widespread belief that Bayesian Optimization (BO) with standard Gaussian process (GP), referred to as standard BO, is ineffective in high-dimensional optimization problems. This perception may partly stem from the intuition that GPs struggle with high-dimensional inputs for covariance modeling and function estimation. While these concerns seem reasonable, empirical evidence supporting this belief is lacking. In this paper, we systematically investigated BO with standard GP regression across a variety of synthetic and real-world benchmark problems for high-dimensional optimization. Surprisingly, the performance with standard GP consistently ranks among the best, often outperforming existing BO methods specifically designed for high-dimensional optimization by a large margin. Contrary to the stereotype, we found that standard GP can serve as a capable surrogate for learning high-dimensional target functions. Without strong structural assumptions, BO with standard GP not only excels in high-dimensional optimization but also proves robust in accommodating various structures within the target functions. Furthermore, with standard GP, achieving promising optimization performance is possible by only using maximum likelihood estimation, eliminating the need for expensive Markov-Chain Monte Carlo (MCMC) sampling that might be required by more complex surrogate models. We thus advocate for a re-evaluation and in-depth study of the potential of standard BO in addressing high-dimensional problems.

Plug-and-Play (PnP) algorithms are a class of iterative algorithms that address image inverse problems by combining a physical model and a deep neural network for regularization. Even if they produce impressive image restoration results, these algorithms rely on a non-standard use of a denoiser on images that are less and less noisy along the iterations, which contrasts with recent algorithms based on Diffusion Models (DM), where the denoiser is applied only on re-noised images. We propose a new PnP framework, called Stochastic deNOising REgularization (SNORE), which applies the denoiser only on images with noise of the adequate level. It is based on an explicit stochastic regularization, which leads to a stochastic gradient descent algorithm to solve ill-posed inverse problems. A convergence analysis of this algorithm and its annealing extension is provided. Experimentally, we prove that SNORE is competitive with respect to state-of-the-art methods on deblurring and inpainting tasks, both quantitatively and qualitatively.

In response to the pressing challenge of kidney allocation, characterized by growing demands for organs, this research sets out to develop a data-driven solution to this problem, which also incorporates stakeholder values. The primary objective of this study is to create a method for learning both individual and group-level preferences pertaining to kidney allocations. Drawing upon data from the 'Pairwise Kidney Patient Online Survey.' Leveraging two distinct datasets and evaluating across three levels - Individual, Group and Stability - we employ machine learning classifiers assessed through several metrics. The Individual level model predicts individual participant preferences, the Group level model aggregates preferences across participants, and the Stability level model, an extension of the Group level, evaluates the stability of these preferences over time. By incorporating stakeholder preferences into the kidney allocation process, we aspire to advance the ethical dimensions of organ transplantation, contributing to more transparent and equitable practices while promoting the integration of moral values into algorithmic decision-making.

Stochastic generators are essential to produce synthetic realizations that preserve target statistical properties. We propose GenFormer, a stochastic generator for spatio-temporal multivariate stochastic processes. It is constructed using a Transformer-based deep learning model that learns a mapping between a Markov state sequence and time series values. The synthetic data generated by the GenFormer model preserves the target marginal distributions and approximately captures other desired statistical properties even in challenging applications involving a large number of spatial locations and a long simulation horizon. The GenFormer model is applied to simulate synthetic wind speed data at various stations in Florida to calculate exceedance probabilities for risk management.

Installing probabilistic world models into artificial agents opens an efficient channel for humans to communicate with and control these agents. In addition to updating agent policies, humans can modify their internal world models in order to influence their decisions. The challenge, however, is that currently existing world models are difficult for humans to adapt because they lack a natural communication interface. Aimed at addressing this shortcoming, we develop Language-Guided World Models (LWMs), which can capture environment dynamics by reading language descriptions. These models enhance agent communication efficiency, allowing humans to simultaneously alter their behavior on multiple tasks with concise language feedback. They also enable agents to self-learn from texts originally written to instruct humans. To facilitate the development of LWMs, we design a challenging benchmark based on the game of MESSENGER (Hanjie et al., 2021), requiring compositional generalization to new language descriptions and environment dynamics. Our experiments reveal that the current state-of-the-art Transformer architecture performs poorly on this benchmark, motivating us to design a more robust architecture. To showcase the practicality of our proposed LWMs, we simulate a scenario where these models augment the interpretability and safety of an agent by enabling it to generate and discuss plans with a human before execution. By effectively incorporating language feedback on the plan, the models boost the agent performance in the real environment by up to three times without collecting any interactive experiences in this environment.

End-to-end learning has emerged as a major paradigm for developing autonomous systems. Unfortunately, with its performance and convenience comes an even greater challenge of safety assurance. A key factor of this challenge is the absence of the notion of a low-dimensional and interpretable dynamical state, around which traditional assurance methods revolve. Focusing on the online safety prediction problem, this paper proposes a configurable family of learning pipelines based on generative world models, which do not require low-dimensional states. To implement these pipelines, we overcome the challenges of learning safety-informed latent representations and missing safety labels under prediction-induced distribution shift. These pipelines come with statistical calibration guarantees on their safety chance predictions based on conformal prediction. We perform an extensive evaluation of the proposed learning pipelines on two case studies of image-controlled systems: a racing car and a cartpole.

Non-active adaptive sampling is a way of building machine learning models from a training data base which are supposed to dynamically and automatically derive guaranteed sample size. In this context and regardless of the strategy used in both scheduling and generating of weak predictors, a proposal for calculating absolute convergence and error thresholds is described. We not only make it possible to establish when the quality of the model no longer increases, but also supplies a proximity condition to estimate in absolute terms how close it is to achieving such a goal, thus supporting decision making for fine-tuning learning parameters in model selection. The technique proves its correctness and completeness with respect to our working hypotheses, in addition to strengthening the robustness of the sampling scheme. Tests meet our expectations and illustrate the proposal in the domain of natural language processing, taking the generation of part-of-speech taggers as case study.

Large language models are increasingly integrated with external tools and APIs like ChatGPT plugins to extend their capability beyond language-centric tasks. However, today's LLM inference systems are designed for standalone LLMs. They treat API calls as new requests, causing unnecessary recomputation of already computed contexts, which accounts for 37-40% of total model forwarding time. This paper presents APIServe, the first LLM inference framework targeting API-augmented LLMs. APISERVE minimizes the GPU resource waste caused by API calls and dedicates saved memory for serving more requests. APISERVE improves the overall serving throughput by 1.6x and completes 2x more requests per second compared to the state-of-the-art LLM inference systems.

The growing digital landscape of fashion e-commerce calls for interactive and user-friendly interfaces for virtually trying on clothes. Traditional try-on methods grapple with challenges in adapting to diverse backgrounds, poses, and subjects. While newer methods, utilizing the recent advances of diffusion models, have achieved higher-quality image generation, the human-centered dimensions of mobile interface delivery and privacy concerns remain largely unexplored. We present Mobile Fitting Room, the first on-device diffusion-based virtual try-on system. To address multiple inter-related technical challenges such as high-quality garment placement and model compression for mobile devices, we present a novel technical pipeline and an interface design that enables privacy preservation and user customization. A usage scenario highlights how our tool can provide a seamless, interactive virtual try-on experience for customers and provide a valuable service for fashion e-commerce businesses.

Deep neural networks were significantly vulnerable to adversarial examples manipulated by malicious tiny perturbations. Although most conventional adversarial attacks ensured the visual imperceptibility between adversarial examples and corresponding raw images by minimizing their geometric distance, these constraints on geometric distance led to limited attack transferability, inferior visual quality, and human-imperceptible interpretability. In this paper, we proposed a supervised semantic-transformation generative model to generate adversarial examples with real and legitimate semantics, wherein an unrestricted adversarial manifold containing continuous semantic variations was constructed for the first time to realize a legitimate transition from non-adversarial examples to adversarial ones. Comprehensive experiments on MNIST and industrial defect datasets showed that our adversarial examples not only exhibited better visual quality but also achieved superior attack transferability and more effective explanations for model vulnerabilities, indicating their great potential as generic adversarial examples. The code and pre-trained models were available at https://github.com/shuaili1027/MAELS.git.

Code classification is a difficult issue in program understanding and automatic coding. Due to the elusive syntax and complicated semantics in programs, most existing studies use techniques based on abstract syntax tree (AST) and graph neural network (GNN) to create code representations for code classification. These techniques utilize the structure and semantic information of the code, but they only take into account pairwise associations and neglect the high-order correlations that already exist between nodes in the AST, which may result in the loss of code structural information. On the other hand, while a general hypergraph can encode high-order data correlations, it is homogeneous and undirected which will result in a lack of semantic and structural information such as node types, edge types, and directions between child nodes and parent nodes when modeling AST. In this study, we propose to represent AST as a heterogeneous directed hypergraph (HDHG) and process the graph by heterogeneous directed hypergraph neural network (HDHGN) for code classification. Our method improves code understanding and can represent high-order data correlations beyond paired interactions. We assess heterogeneous directed hypergraph neural network (HDHGN) on public datasets of Python and Java programs. Our method outperforms previous AST-based and GNN-based methods, which demonstrates the capability of our model.

Graph transformers need strong inductive biases to derive meaningful attention scores. Yet, current methods often fall short in capturing longer ranges, hierarchical structures, or community structures, which are common in various graphs such as molecules, social networks, and citation networks. This paper presents a Hierarchical Distance Structural Encoding (HDSE) method to model node distances in a graph, focusing on its multi-level, hierarchical nature. We introduce a novel framework to seamlessly integrate HDSE into the attention mechanism of existing graph transformers, allowing for simultaneous application with other positional encodings. To apply graph transformer with HDSE to large-scale graphs, we further propose a hierarchical global attention mechanism with linear complexity. We theoretically prove the superiority of HDSE over shortest path distances in terms of expressivity and generalization. Empirically, we demonstrate that graph transformers with HDSE excel in graph classification, regression on 7 graph-level datasets, and node classification on 12 large-scale graphs, including those with up to a billion nodes.

In this paper, we present a new embedding model, called M3-Embedding, which is distinguished for its versatility in Multi-Linguality, Multi-Functionality, and Multi-Granularity. It can support more than 100 working languages, leading to new state-of-the-art performances on multi-lingual and cross-lingual retrieval tasks. It can simultaneously perform the three common retrieval functionalities of embedding model: dense retrieval, multi-vector retrieval, and sparse retrieval, which provides a unified model foundation for real-world IR applications. It is able to process inputs of different granularities, spanning from short sentences to long documents of up to 8192 tokens. The effective training of M3-Embedding involves the following technical contributions. We propose a novel self-knowledge distillation approach, where the relevance scores from different retrieval functionalities can be integrated as the teacher signal to enhance the training quality. We also optimize the batching strategy, enabling a large batch size and high training throughput to ensure the discriminativeness of embeddings. To the best of our knowledge, M3-Embedding is the first embedding model which realizes such a strong versatility. The model and code will be publicly available at https://github.com/FlagOpen/FlagEmbedding.

Recent rising interests in patient-specific thoracic surgical planning and simulation require efficient and robust creation of digital anatomical models from automatic medical image segmentation algorithms. Deep learning (DL) is now state-of-the-art in various radiological tasks, and U-shaped DL models have particularly excelled in medical image segmentation since the inception of the 2D UNet. To date, many variants of U-shaped models have been proposed by the integration of different attention mechanisms and network configurations. Leveraging the recent development of large multi-label databases, systematic benchmark studies for these models can provide valuable insights for clinical deployment and future model designs, but such studies are still rare. We conduct the first benchmark study for variants of 3D U-shaped models (3DUNet, STUNet, AttentionUNet, SwinUNETR, FocalSegNet, and a novel 3D SwinUnet with four variants) with a focus on CT-based anatomical segmentation for thoracic surgery. Our study systematically examines the impact of different attention mechanisms, number of resolution stages, and network configurations on segmentation accuracy and computational complexity. To allow cross-reference with other recent benchmarking studies, we also included a performance assessment of the BTCV abdominal structural segmentation. With the STUNet ranking at the top, our study demonstrated the value of CNN-based U-shaped models for the investigated tasks and the benefit of residual blocks in network configuration designs to boost segmentation performance.

We study various machine learning based algorithms for performing accurate jet flavor classification on field-programmable gate arrays and demonstrate how latency and resource consumption scale with the input size and choice of algorithm. These architectures provide an initial design for models that could be used for tagging at the CERN LHC during its high-luminosity phase. The high-luminosity upgrade will lead to a five-fold increase in its instantaneous luminosity for proton-proton collisions and, in turn, higher data volume and complexity, such as the availability of jet constituents. Through quantization-aware training and efficient hardware implementations, we show that O(100) ns inference of complex architectures such as deep sets and interaction networks is feasible at a low computational resource cost.

Recently there has been a surge of interest in operations research (OR) and the machine learning (ML) community in combining prediction algorithms and optimization techniques to solve decision-making problems in the face of uncertainty. This gave rise to the field of contextual optimization, under which data-driven procedures are developed to prescribe actions to the decision-maker that make the best use of the most recently updated information. A large variety of models and methods have been presented in both OR and ML literature under a variety of names, including data-driven optimization, prescriptive optimization, predictive stochastic programming, policy optimization, (smart) predict/estimate-then-optimize, decision-focused learning, (task-based) end-to-end learning/forecasting/optimization, etc. Focusing on single and two-stage stochastic programming problems, this review article identifies three main frameworks for learning policies from data and discusses their strengths and limitations. We present the existing models and methods under a uniform notation and terminology and classify them according to the three main frameworks identified. Our objective with this survey is to both strengthen the general understanding of this active field of research and stimulate further theoretical and algorithmic advancements in integrating ML and stochastic programming.

Neuro-Symbolic AI (NeSy) holds promise to ensure the safe deployment of AI systems, as interpretable symbolic techniques provide formal behaviour guarantees. The challenge is how to effectively integrate neural and symbolic computation, to enable learning and reasoning from raw data. Existing pipelines that train the neural and symbolic components sequentially require extensive labelling, whereas end-to-end approaches are limited in terms of scalability, due to the combinatorial explosion in the symbol grounding problem. In this paper, we leverage the implicit knowledge within foundation models to enhance the performance in NeSy tasks, whilst reducing the amount of data labelling and manual engineering. We introduce a new architecture, called NeSyGPT, which fine-tunes a vision-language foundation model to extract symbolic features from raw data, before learning a highly expressive answer set program to solve a downstream task. Our comprehensive evaluation demonstrates that NeSyGPT has superior accuracy over various baselines, and can scale to complex NeSy tasks. Finally, we highlight the effective use of a large language model to generate the programmatic interface between the neural and symbolic components, significantly reducing the amount of manual engineering required.

The self-attention mechanism prevails in modern machine learning. It has an interesting functionality of adaptively selecting tokens from an input sequence by modulating the degree of attention localization, which many researchers speculate is the basis of the powerful model performance but complicates the underlying mechanism of the learning dynamics. In recent years, mainly two arguments have connected attention localization to the model performances. One is the rank collapse, where the embedded tokens by a self-attention block become very similar across different tokens, leading to a less expressive network. The other is the entropy collapse, where the attention probability approaches non-uniform and entails low entropy, making the learning dynamics more likely to be trapped in plateaus. These two failure modes may apparently contradict each other because the rank and entropy collapses are relevant to uniform and non-uniform attention, respectively. To this end, we characterize the notion of attention localization by the eigenspectrum of query-key parameter matrices and reveal that a small eigenspectrum variance leads attention to be localized. Interestingly, the small eigenspectrum variance prevents both rank and entropy collapse, leading to better model expressivity and trainability.

Background: Graph Neural Networks (GNN) have emerged in very recent years as a powerful tool for supporting in silico Virtual Screening. In this work we present a GNN which uses Graph Convolutional architectures to achieve very accurate multi-target screening. We also devised a hierarchical Explainable Artificial Intelligence (XAI) technique to catch information directly at atom, ring, and whole molecule level by leveraging the message passing mechanism. In this way, we find the most relevant moieties involved in bioactivity prediction. Results: We report a state-of-the-art GNN classifier on twenty Cyclin-dependent Kinase targets in support of VS. Our classifier outperforms previous SOTA approaches proposed by the authors. Moreover, a CDK1-only high-sensitivity version of the GNN has been designed to use our explainer in order to avoid the inherent bias of multi-class models. The hierarchical explainer has been validated by an expert chemist on 19 approved drugs on CDK1. Our explainer provided information in accordance to the docking analysis for 17 out of the 19 test drugs. Conclusion: Our approach is a valid support for shortening both the screening and the hit-to-lead phase. Detailed knowledge about the molecular substructures that play a role in the inhibitory action, can help the computational chemist to gain insights into the pharmacophoric function of the molecule also for repurposing purposes.

Large Language Models (LLMs) have demonstrated proficiency in their reasoning abilities, yet their large size presents scalability challenges and limits any further customization. In contrast, compact models offer customized training but often fall short in solving complex reasoning tasks. This study focuses on distilling the LLMs' decomposition skills into compact models using offline reinforcement learning. We leverage the advancements in the LLM`s capabilities to provide feedback and generate a specialized task-specific dataset for training compact models. The development of an AI-generated dataset and the establishment of baselines constitute the primary contributions of our work, underscoring the potential of compact models in replicating complex problem-solving skills.

Hierarchical text classification (HTC) is a complex subtask under multi-label text classification, characterized by a hierarchical label taxonomy and data imbalance. The best-performing models aim to learn a static representation by combining document and hierarchical label information. However, the relevance of document sections can vary based on the hierarchy level, necessitating a dynamic document representation. To address this, we propose HiGen, a text-generation-based framework utilizing language models to encode dynamic text representations. We introduce a level-guided loss function to capture the relationship between text and label name semantics. Our approach incorporates a task-specific pretraining strategy, adapting the language model to in-domain knowledge and significantly enhancing performance for classes with limited examples. Furthermore, we present a new and valuable dataset called ENZYME, designed for HTC, which comprises articles from PubMed with the goal of predicting Enzyme Commission (EC) numbers. Through extensive experiments on the ENZYME dataset and the widely recognized WOS and NYT datasets, our methodology demonstrates superior performance, surpassing existing approaches while efficiently handling data and mitigating class imbalance. The data and code will be released publicly.

Unsupervised domain adaptation (UDA) plays a crucial role in addressing distribution shifts in machine learning. In this work, we improve the theoretical foundations of UDA proposed by Acuna et al. (2021) by refining their f-divergence-based discrepancy and additionally introducing a new measure, f-domain discrepancy (f-DD). By removing the absolute value function and incorporating a scaling parameter, f-DD yields novel target error and sample complexity bounds, allowing us to recover previous KL-based results and bridging the gap between algorithms and theory presented in Acuna et al. (2021). Leveraging a localization technique, we also develop a fast-rate generalization bound. Empirical results demonstrate the superior performance of f-DD-based domain learning algorithms over previous works in popular UDA benchmarks.

In this paper, we consider an infinite horizon average reward Markov Decision Process (MDP). Distinguishing itself from existing works within this context, our approach harnesses the power of the general policy gradient-based algorithm, liberating it from the constraints of assuming a linear MDP structure. We propose a policy gradient-based algorithm and show its global convergence property. We then prove that the proposed algorithm has $\tilde{\mathcal{O}}({T}^{3/4})$ regret. Remarkably, this paper marks a pioneering effort by presenting the first exploration into regret-bound computation for the general parameterized policy gradient algorithm in the context of average reward scenarios.

Crop classification using remote sensing data has emerged as a prominent research area in recent decades. Studies have demonstrated that fusing SAR and optical images can significantly enhance the accuracy of classification. However, a major challenge in this field is the limited availability of training data, which adversely affects the performance of classifiers. In agricultural regions, the dominant crops typically consist of one or two specific types, while other crops are scarce. Consequently, when collecting training samples to create a map of agricultural products, there is an abundance of samples from the dominant crops, forming the majority classes. Conversely, samples from other crops are scarce, representing the minority classes. Addressing this issue requires overcoming several challenges and weaknesses associated with traditional data generation methods. These methods have been employed to tackle the imbalanced nature of the training data. Nevertheless, they still face limitations in effectively handling the minority classes. Overall, the issue of inadequate training data, particularly for minority classes, remains a hurdle that traditional methods struggle to overcome. In this research, We explore the effectiveness of conditional tabular generative adversarial network (CTGAN) as a synthetic data generation method based on a deep learning network, in addressing the challenge of limited training data for minority classes in crop classification using the fusion of SAR-optical data. Our findings demonstrate that the proposed method generates synthetic data with higher quality that can significantly increase the number of samples for minority classes leading to better performance of crop classifiers.

Testing and evaluating the safety performance of autonomous vehicles (AVs) is essential before the large-scale deployment. Practically, the acceptable cost of testing specific AV model can be restricted within an extremely small limit because of testing cost or time. With existing testing methods, the limitations imposed by strictly restricted testing numbers often result in significant uncertainties or challenges in quantifying testing results. In this paper, we formulate this problem for the first time the "few-shot testing" (FST) problem and propose a systematic FST framework to address this challenge. To alleviate the considerable uncertainty inherent in a small testing scenario set and optimize scenario utilization, we frame the FST problem as an optimization problem and search for a small scenario set based on neighborhood coverage and similarity. By leveraging the prior information on surrogate models (SMs), we dynamically adjust the testing scenario set and the contribution of each scenario to the testing result under the guidance of better generalization ability on AVs. With certain hypotheses on SMs, a theoretical upper bound of testing error is established to verify the sufficiency of testing accuracy within given limited number of tests. The experiments of the cut-in scenario using FST method demonstrate a notable reduction in testing error and variance compared to conventional testing methods, especially for situations with a strict limitation on the number of scenarios.

Evaluating the adversarial robustness of deep networks to gradient-based attacks is challenging. While most attacks consider $\ell_2$- and $\ell_\infty$-norm constraints to craft input perturbations, only a few investigate sparse $\ell_1$- and $\ell_0$-norm attacks. In particular, $\ell_0$-norm attacks remain the least studied due to the inherent complexity of optimizing over a non-convex and non-differentiable constraint. However, evaluating adversarial robustness under these attacks could reveal weaknesses otherwise left untested with more conventional $\ell_2$- and $\ell_\infty$-norm attacks. In this work, we propose a novel $\ell_0$-norm attack, called $\sigma$-zero, which leverages an ad hoc differentiable approximation of the $\ell_0$ norm to facilitate gradient-based optimization, and an adaptive projection operator to dynamically adjust the trade-off between loss minimization and perturbation sparsity. Extensive evaluations using MNIST, CIFAR10, and ImageNet datasets, involving robust and non-robust models, show that $\sigma$-zero finds minimum $\ell_0$-norm adversarial examples without requiring any time-consuming hyperparameter tuning, and that it outperforms all competing sparse attacks in terms of success rate, perturbation size, and scalability.

In recent years, LiDAR-camera fusion models have markedly advanced 3D object detection tasks in autonomous driving. However, their robustness against common weather corruption such as fog, rain, snow, and sunlight in the intricate physical world remains underexplored. In this paper, we evaluate the robustness of fusion models from the perspective of fusion strategies on the corrupted dataset. Based on the evaluation, we further propose a concise yet practical fusion strategy to enhance the robustness of the fusion models, namely flexibly weighted fusing features from LiDAR and camera sources to adapt to varying weather scenarios. Experiments conducted on four types of fusion models, each with two distinct lightweight implementations, confirm the broad applicability and effectiveness of the approach.

Research interest in autonomous agents is on the rise as an emerging topic. The notable achievements of Large Language Models (LLMs) have demonstrated the considerable potential to attain human-like intelligence in autonomous agents. However, the challenge lies in enabling these agents to learn, reason, and navigate uncertainties in dynamic environments. Context awareness emerges as a pivotal element in fortifying multi-agent systems when dealing with dynamic situations. Despite existing research focusing on both context-aware systems and multi-agent systems, there is a lack of comprehensive surveys outlining techniques for integrating context-aware systems with multi-agent systems. To address this gap, this survey provides a comprehensive overview of state-of-the-art context-aware multi-agent systems. First, we outline the properties of both context-aware systems and multi-agent systems that facilitate integration between these systems. Subsequently, we propose a general process for context-aware systems, with each phase of the process encompassing diverse approaches drawn from various application domains such as collision avoidance in autonomous driving, disaster relief management, utility management, supply chain management, human-AI interaction, and others. Finally, we discuss the existing challenges of context-aware multi-agent systems and provide future research directions in this field.

We study off-policy evaluation (OPE) in the problem of slate contextual bandits where a policy selects multi-dimensional actions known as slates. This problem is widespread in recommender systems, search engines, marketing, to medical applications, however, the typical Inverse Propensity Scoring (IPS) estimator suffers from substantial variance due to large action spaces, making effective OPE a significant challenge. The PseudoInverse (PI) estimator has been introduced to mitigate the variance issue by assuming linearity in the reward function, but this can result in significant bias as this assumption is hard-to-verify from observed data and is often substantially violated. To address the limitations of previous estimators, we develop a novel estimator for OPE of slate bandits, called Latent IPS (LIPS), which defines importance weights in a low-dimensional slate abstraction space where we optimize slate abstractions to minimize the bias and variance of LIPS in a data-driven way. By doing so, LIPS can substantially reduce the variance of IPS without imposing restrictive assumptions on the reward function structure like linearity. Through empirical evaluation, we demonstrate that LIPS substantially outperforms existing estimators, particularly in scenarios with non-linear rewards and large slate spaces.

Real-time semantic segmentation is a crucial research for real-world applications. However, many methods lay particular emphasis on reducing the computational complexity and model size, while largely sacrificing the accuracy. In some scenarios, such as autonomous navigation and driver assistance system, accuracy and speed are equally important. To tackle this problem, we propose a novel Multi-level Feature Aggregation and Recursive Alignment Network (MFARANet), aiming to achieve high segmentation accuracy at real-time inference speed. We employ ResNet-18 as the backbone to ensure efficiency, and propose three core components to compensate for the reduced model capacity due to the shallow backbone. Specifically, we first design Multi-level Feature Aggregation Module (MFAM) to aggregate the hierarchical features in the encoder to each scale to benefit subsequent spatial alignment and multi-scale inference. Then, we build Recursive Alignment Module (RAM) by combining the flow-based alignment module with recursive upsampling architecture for accurate and efficient spatial alignment between multi-scale score maps. Finally, the Adaptive Scores Fusion Module (ASFM) is proposed to adaptively fuse multi-scale scores so that the final prediction can favor objects of multiple scales. Comprehensive experiments on three benchmark datasets including Cityscapes, CamVid and PASCAL-Context show the effectiveness and efficiency of our method. In particular, we achieve a better balance between speed and accuracy than state-of-the-art real-time methods on Cityscapes and CamVid datasets. Code is available at: https://github.com/Yanhua-Zhang/MFARANet.

Online decision making plays a crucial role in numerous real-world applications. In many scenarios, the decision is made based on performing a sequence of tests on the incoming data points. However, performing all tests can be expensive and is not always possible. In this paper, we provide a novel formulation of the online decision making problem based on combinatorial multi-armed bandits and take the (possibly stochastic) cost of performing tests into account. Based on this formulation, we provide a new framework for cost-efficient online decision making which can utilize posterior sampling or BayesUCB for exploration. We provide a theoretical analysis of Thompson Sampling for cost-efficient online decision making, and present various experimental results that demonstrate the applicability of our framework to real-world problems.

This paper describes a family of seasonal and non-seasonal time series models that can be viewed as generalisations of additive and multiplicative exponential smoothing models, to model series that grow faster than linear but slower than exponential. Their development is motivated by fast-growing, volatile time series. In particular, our models have a global trend that can smoothly change from additive to multiplicative, and is combined with a linear local trend. Seasonality when used is multiplicative in our models, and the error is always additive but is heteroscedastic and can grow through a parameter sigma. We leverage state-of-the-art Bayesian fitting techniques to accurately fit these models that are more complex and flexible than standard exponential smoothing models. When applied to the M3 competition data set, our models outperform the best algorithms in the competition as well as other benchmarks, thus achieving to the best of our knowledge the best results of per-series univariate methods on this dataset in the literature. An open-source software package of our method is available.

In a variety of scientific and engineering domains, ranging from seismic modeling to medical imaging, the need for high-fidelity and efficient solutions for high-frequency wave propagation holds great significance. Recent advances in wave modeling use sufficiently accurate fine solver outputs to train neural networks that enhance the accuracy of a fast but inaccurate coarse solver. A stable and fast solver further allows the use of Parareal, a parallel-in-time algorithm to retrieve and correct high-frequency wave components. In this paper we build upon the work of Nguyen and Tsai (2023) and present a novel unified system that integrates a numerical solver with deep learning components into an end-to-end framework. In the proposed setting, we investigate refinements to the neural network architecture, data generation algorithm and Parareal scheme. Our results show that the cohesive structure significantly improves performance without sacrificing speed, and demonstrate the importance of temporal dynamics, as well as Parareal iterations, for accurate wave propagation.

Printed Electronics (PE) stands out as a promisingtechnology for widespread computing due to its distinct attributes, such as low costs and flexible manufacturing. Unlike traditional silicon-based technologies, PE enables stretchable, conformal,and non-toxic hardware. However, PE are constrained by larger feature sizes, making it challenging to implement complex circuits such as machine learning (ML) classifiers. Approximate computing has been proven to reduce the hardware cost of ML circuits such as Multilayer Perceptrons (MLPs). In this paper, we maximize the benefits of approximate computing by integrating hardware approximation into the MLP training process. Due to the discrete nature of hardware approximation, we propose and implement a genetic-based, approximate, hardware-aware training approach specifically designed for printed MLPs. For a 5% accuracy loss, our MLPs achieve over 5x area and power reduction compared to the baseline while outperforming state of-the-art approximate and stochastic printed MLPs.

In the realm of real-world devices, centralized servers in Federated Learning (FL) present challenges including communication bottlenecks and susceptibility to a single point of failure. Additionally, contemporary devices inherently exhibit model and data heterogeneity. Existing work lacks a Decentralized FL (DFL) framework capable of accommodating such heterogeneity without imposing architectural restrictions or assuming the availability of public data. To address these issues, we propose a Decentralized Federated Mutual Learning (DFML) framework that is serverless, supports nonrestrictive heterogeneous models, and avoids reliance on public data. DFML effectively handles model and data heterogeneity through mutual learning, which distills knowledge between clients, and cyclically varying the amount of supervision and distillation signals. Extensive experimental results demonstrate consistent effectiveness of DFML in both convergence speed and global accuracy, outperforming prevalent baselines under various conditions. For example, with the CIFAR-100 dataset and 50 clients, DFML achieves a substantial increase of +17.20% and +19.95% in global accuracy under Independent and Identically Distributed (IID) and non-IID data shifts, respectively.

Autoregressive decoding of large language models (LLMs) is memory bandwidth bounded, resulting in high latency and significant wastes of the parallel processing power of modern accelerators. Existing methods for accelerating LLM decoding often require a draft model (e.g., speculative decoding), which is nontrivial to obtain and unable to generalize. In this paper, we introduce Lookahead decoding, an exact, parallel decoding algorithm that accelerates LLM decoding without needing auxiliary models or data stores. It allows trading per-step log(FLOPs) to reduce the number of total decoding steps, is more parallelizable on single or multiple modern accelerators, and is compatible with concurrent memory-efficient attention (e.g., FlashAttention). Our implementation of Lookahead decoding can speed up autoregressive decoding by up to 1.8x on MT-bench and 4x with strong scaling on multiple GPUs in code completion tasks. Our code is avialable at https://github.com/hao-ai-lab/LookaheadDecoding

This study evaluates the effectiveness of various large language models (LLMs) in performing tasks common among undergraduate computer science students. Although a number of research studies in the computing education community have explored the possibility of using LLMs for a variety of tasks, there is a lack of comprehensive research comparing different LLMs and evaluating which LLMs are most effective for different tasks. Our research systematically assesses some of the publicly available LLMs such as Google Bard, ChatGPT, GitHub Copilot Chat, and Microsoft Copilot across diverse tasks commonly encountered by undergraduate computer science students. These tasks include code generation, explanation, project ideation, content generation, class assignments, and email composition. Evaluation for these tasks was carried out by junior and senior students in computer science, and provides insights into the models' strengths and limitations. This study aims to guide students in selecting suitable LLMs for any specific task and offers valuable insights on how LLMs can be used constructively by students and instructors.

The development of Courses of Action (COAs) in military operations is traditionally a time-consuming and intricate process. Addressing this challenge, this study introduces COA-GPT, a novel algorithm employing Large Language Models (LLMs) for rapid and efficient generation of valid COAs. COA-GPT incorporates military doctrine and domain expertise to LLMs through in-context learning, allowing commanders to input mission information - in both text and image formats - and receive strategically aligned COAs for review and approval. Uniquely, COA-GPT not only accelerates COA development, producing initial COAs within seconds, but also facilitates real-time refinement based on commander feedback. This work evaluates COA-GPT in a military-relevant scenario within a militarized version of the StarCraft II game, comparing its performance against state-of-the-art reinforcement learning algorithms. Our results demonstrate COA-GPT's superiority in generating strategically sound COAs more swiftly, with added benefits of enhanced adaptability and alignment with commander intentions. COA-GPT's capability to rapidly adapt and update COAs during missions presents a transformative potential for military planning, particularly in addressing planning discrepancies and capitalizing on emergent windows of opportunities.

The recent burst in Large Language Models has opened new frontiers in human-like text processing and generation. However, alongside their remarkable growth, Large Language Models have encountered critical challenges including issues of hallucination, bias, real-time knowledge updates, and the high costs of implementation and maintenance in commercial settings. Vector Databases, another increasingly popular tool, offer potential solutions to these challenges. These databases are adept at handling high-dimensional data and are crucial for tasks such as efficient information retrieval and semantic search. By integrating with Large Language Models, they significantly enhance AI systems' ability to manage and utilize diverse data more effectively. This survey paper provides an in-depth and unique analysis of the intersection between Large Language Models and Vector Databases.

Quantum machine learning (QML) based on Noisy Intermediate-Scale Quantum (NISQ) devices requires the optimal utilization of limited quantum resources. The commonly used gate-based QML models are convenient for software engineers, but their expressivity is restricted by the permissible circuit depth within a finite coherence time. In contrast, pulse-based models enable the construction of "infinitely" deep quantum neural networks within the same coherence time, which may unleash greater expressive power for complex learning tasks. In this paper, we investigate this potential from the perspective of quantum control theory. We first indicate that the nonlinearity of pulse-based models comes from the encoding process that can be viewed as the continuous limit of data-reuploading in gate-based models. Subsequently, we prove that the pulse-based model can approximate arbitrary nonlinear functions when the underlying physical system is ensemble controllable. Under this condition, numerical simulations show that the expressivity can be enhanced by either increasing the pulse length or the number of qubits. As anticipated, we demonstrate through numerical examples that the pulse-based model can unleash more expressive power compared to the gate-based model. These findings establish a theoretical foundation for understanding and designing expressive QML models using NISQ devices.

Underwater perception and 3D surface reconstruction are challenging problems with broad applications in construction, security, marine archaeology, and environmental monitoring. Treacherous operating conditions, fragile surroundings, and limited navigation control often dictate that submersibles restrict their range of motion and, thus, the baseline over which they can capture measurements. In the context of 3D scene reconstruction, it is well-known that smaller baselines make reconstruction more challenging. Our work develops a physics-based multimodal acoustic-optical neural surface reconstruction framework (AONeuS) capable of effectively integrating high-resolution RGB measurements with low-resolution depth-resolved imaging sonar measurements. By fusing these complementary modalities, our framework can reconstruct accurate high-resolution 3D surfaces from measurements captured over heavily-restricted baselines. Through extensive simulations and in-lab experiments, we demonstrate that AONeuS dramatically outperforms recent RGB-only and sonar-only inverse-differentiable-rendering--based surface reconstruction methods. A website visualizing the results of our paper is located at this address: https://aoneus.github.io/

Identification of cognates across related languages is one of the primary problems in historical linguistics. Automated cognate identification is helpful for several downstream tasks including identifying sound correspondences, proto-language reconstruction, phylogenetic classification, etc. Previous state-of-the-art methods for cognate identification are mostly based on distributions of phonemes computed across multilingual wordlists and make little use of the cognacy labels that define links among cognate clusters. In this paper, we present a transformer-based architecture inspired by computational biology for the task of automated cognate detection. Beyond a certain amount of supervision, this method performs better than the existing methods, and shows steady improvement with further increase in supervision, thereby proving the efficacy of utilizing the labeled information. We also demonstrate that accepting multiple sequence alignments as input and having an end-to-end architecture with link prediction head saves much computation time while simultaneously yielding superior performance.

Large language models (LLMs) fine-tuned by reinforcement learning from human feedback (RLHF) are becoming more widely deployed. We coin the term $\textit{Implicit Reward Model}$ (IRM) to refer to the changes that occur to an LLM during RLHF that result in high-reward generations. We interpret IRMs, and measure their divergence from the RLHF reward model used in the fine-tuning process that induced them. By fitting a linear function to an LLM's IRM, a reward model with the same type signature as the RLHF reward model is constructed, allowing for direct comparison. Additionally, we validate our construction of the IRM through cross-comparison with classifications of features generated by an LLM based on their relevance to the RLHF reward model. Better comprehending IRMs can help minimize discrepencies between LLM behavior and training objectives, which we believe to be an essential component of the $\textit{safety}$ and $\textit{alignment}$ of LLMs.

In this paper, we propose the Continuous Time Fractional Topic Model (cFTM), a new method for dynamic topic modeling. This approach incorporates fractional Brownian motion~(fBm) to effectively identify positive or negative correlations in topic and word distribution over time, revealing long-term dependency or roughness. Our theoretical analysis shows that the cFTM can capture these long-term dependency or roughness in both topic and word distributions, mirroring the main characteristics of fBm. Moreover, we prove that the parameter estimation process for the cFTM is on par with that of LDA, traditional topic models. To demonstrate the cFTM's property, we conduct empirical study using economic news articles. The results from these tests support the model's ability to identify and track long-term dependency or roughness in topics over time.

Automatic Speech Recognition (ASR) systems are used in the financial domain to enhance the caller experience by enabling natural language understanding and facilitating efficient and intuitive interactions. Increasing use of ASR systems requires that such systems exhibit very low error rates. The predominant ASR models to collect numeric data are large, general-purpose commercial models -- Google Speech-to-text (STT), or Amazon Transcribe -- or open source (OpenAI's Whisper). Such ASR models are trained on hundreds of thousands of hours of audio data and require considerable resources to run. Despite recent progress large speech recognition models, we highlight the potential of smaller, specialized "micro" models. Such light models can be trained perform well on number recognition specific tasks, competing with general models like Whisper or Google STT while using less than 80 minutes of training time and occupying at least an order of less memory resources. Also, unlike larger speech recognition models, micro-models are trained on carefully selected and curated datasets, which makes them highly accurate, agile, and easy to retrain, while using low compute resources. We present our work on creating micro models for multi-digit number recognition that handle diverse speaking styles reflecting real-world pronunciation patterns. Our work contributes to domain-specific ASR models, improving digit recognition accuracy, and privacy of data. An added advantage, their low resource consumption allows them to be hosted on-premise, keeping private data local instead uploading to an external cloud. Our results indicate that our micro-model makes less errors than the best-of-breed commercial or open-source ASRs in recognizing digits (1.8% error rate of our best micro-model versus 5.8% error rate of Whisper), and has a low memory footprint (0.66 GB VRAM for our model versus 11 GB VRAM for Whisper).

Recent advances in diffusion models attempt to handle conditional generative tasks by utilizing a differentiable loss function for guidance without the need for additional training. While these methods achieved certain success, they often compromise on sample quality and require small guidance step sizes, leading to longer sampling processes. This paper reveals that the fundamental issue lies in the manifold deviation during the sampling process when loss guidance is employed. We theoretically show the existence of manifold deviation by establishing a certain lower bound for the estimation error of the loss guidance. To mitigate this problem, we propose Diffusion with Spherical Gaussian constraint (DSG), drawing inspiration from the concentration phenomenon in high-dimensional Gaussian distributions. DSG effectively constrains the guidance step within the intermediate data manifold through optimization and enables the use of larger guidance steps. Furthermore, we present a closed-form solution for DSG denoising with the Spherical Gaussian constraint. Notably, DSG can seamlessly integrate as a plugin module within existing training-free conditional diffusion methods. Implementing DSG merely involves a few lines of additional code with almost no extra computational overhead, yet it leads to significant performance improvements. Comprehensive experimental results in various conditional generation tasks validate the superiority and adaptability of DSG in terms of both sample quality and time efficiency.

Although data-driven methods have achieved success in 3D human pose estimation, they often suffer from domain gaps and exhibit limited generalization. In contrast, optimization-based methods excel in fine-tuning for specific cases but are generally inferior to data-driven methods in overall performance. We observe that previous optimization-based methods commonly rely on projection constraint, which only ensures alignment in 2D space, potentially leading to the overfitting problem. To address this, we propose an Uncertainty-Aware testing-time Optimization (UAO) framework, which keeps the prior information of pre-trained model and alleviates the overfitting problem using the uncertainty of joints. Specifically, during the training phase, we design an effective 2D-to-3D network for estimating the corresponding 3D pose while quantifying the uncertainty of each 3D joint. For optimization during testing, the proposed optimization framework freezes the pre-trained model and optimizes only a latent state. Projection loss is then employed to ensure the generated poses are well aligned in 2D space for high-quality optimization. Furthermore, we utilize the uncertainty of each joint to determine how much each joint is allowed for optimization. The effectiveness and superiority of the proposed framework are validated through extensive experiments on two challenging datasets: Human3.6M and MPI-INF-3DHP. Notably, our approach outperforms the previous best result by a large margin of 4.5% on Human3.6M. Our source code will be open-sourced.

Gradient compression has surfaced as a key technique to address the challenge of communication efficiency in distributed learning. In distributed deep learning, however, it is observed that gradient distributions are heavy-tailed, with outliers significantly influencing the design of compression strategies. Existing parameter quantization methods experience performance degradation when this heavy-tailed feature is ignored. In this paper, we introduce a novel compression scheme specifically engineered for heavy-tailed gradients, which effectively combines gradient truncation with quantization. This scheme is adeptly implemented within a communication-limited distributed Stochastic Gradient Descent (SGD) framework. We consider a general family of heavy-tail gradients that follow a power-law distribution, we aim to minimize the error resulting from quantization, thereby determining optimal values for two critical parameters: the truncation threshold and the quantization density. We provide a theoretical analysis on the convergence error bound under both uniform and non-uniform quantization scenarios. Comparative experiments with other benchmarks demonstrate the effectiveness of our proposed method in managing the heavy-tailed gradients in a distributed learning environment.

Most recent scribble-supervised segmentation methods commonly adopt a CNN framework with an encoder-decoder architecture. Despite its multiple benefits, this framework generally can only capture small-range feature dependency for the convolutional layer with the local receptive field, which makes it difficult to learn global shape information from the limited information provided by scribble annotations. To address this issue, this paper proposes a new CNN-Transformer hybrid solution for scribble-supervised medical image segmentation called ScribFormer. The proposed ScribFormer model has a triple-branch structure, i.e., the hybrid of a CNN branch, a Transformer branch, and an attention-guided class activation map (ACAM) branch. Specifically, the CNN branch collaborates with the Transformer branch to fuse the local features learned from CNN with the global representations obtained from Transformer, which can effectively overcome limitations of existing scribble-supervised segmentation methods. Furthermore, the ACAM branch assists in unifying the shallow convolution features and the deep convolution features to improve model's performance further. Extensive experiments on two public datasets and one private dataset show that our ScribFormer has superior performance over the state-of-the-art scribble-supervised segmentation methods, and achieves even better results than the fully-supervised segmentation methods. The code is released at https://github.com/HUANGLIZI/ScribFormer.

To help the open-source community have a better understanding of Mixture-of-Experts (MoE) based large language models (LLMs), we train and release OpenMoE, a series of fully open-sourced and reproducible decoder-only MoE LLMs, ranging from 650M to 34B parameters and trained on up to over 1T tokens. Our investigation confirms that MoE-based LLMs can offer a more favorable cost-effectiveness trade-off than dense LLMs, highlighting the potential effectiveness for future LLM development. One more important contribution of this study is an in-depth analysis of the routing mechanisms within our OpenMoE models, leading to three significant findings: Context-Independent Specialization, Early Routing Learning, and Drop-towards-the-End. We discovered that routing decisions in MoE models are predominantly based on token IDs, with minimal context relevance. The token-to-expert assignments are determined early in the pre-training phase and remain largely unchanged. This imperfect routing can result in performance degradation, particularly in sequential tasks like multi-turn conversations, where tokens appearing later in a sequence are more likely to be dropped. Finally, we rethink our design based on the above-mentioned observations and analysis. To facilitate future MoE LLM development, we propose potential strategies for mitigating the issues we found and further improving off-the-shelf MoE LLM designs.

This study investigates the vulnerability of semantic segmentation models to adversarial input perturbations, in the domain of off-road autonomous driving. Despite good performance in generic conditions, the state-of-the-art classifiers are often susceptible to (even) small perturbations, ultimately resulting in inaccurate predictions with high confidence. Prior research has directed their focus on making models more robust by modifying the architecture and training with noisy input images, but has not explored the influence of datasets in adversarial attacks. Our study aims to address this gap by examining the impact of non-robust features in off-road datasets and comparing the effects of adversarial attacks on different segmentation network architectures. To enable this, a robust dataset is created consisting of only robust features and training the networks on this robustified dataset. We present both qualitative and quantitative analysis of our findings, which have important implications on improving the robustness of machine learning models in off-road autonomous driving applications. Additionally, this work contributes to the safe navigation of autonomous robot Unimog U5023 in rough off-road unstructured environments by evaluating the robustness of segmentation outputs. The code is publicly available at https://github.com/rohtkumar/adversarial_attacks_ on_segmentation

In this paper, we propose the first framework that enables solving graph learning tasks of all levels (node, edge and graph) and all types (generation, regression and classification) with one model. We first propose Latent Graph Diffusion (LGD), a generative model that can generate node, edge, and graph-level features of all categories simultaneously. We achieve this goal by embedding the graph structures and features into a latent space leveraging a powerful encoder which can also be decoded, then training a diffusion model in the latent space. LGD is also capable of conditional generation through a specifically designed cross-attention mechanism. Then we formulate prediction tasks including regression and classification as (conditional) generation, which enables our LGD to solve tasks of all levels and all types with provable guarantees. We verify the effectiveness of our framework with extensive experiments, where our models achieve state-of-the-art or highly competitive results across generation and regression tasks.

A recent theory shows that a multi-player decentralized partially observable Markov decision process can be transformed into an equivalent single-player game, enabling the application of \citeauthor{bellman}'s principle of optimality to solve the single-player game by breaking it down into single-stage subgames. However, this approach entangles the decision variables of all players at each single-stage subgame, resulting in backups with a double-exponential complexity. This paper demonstrates how to disentangle these decision variables while maintaining optimality under hierarchical information sharing, a prominent management style in our society. To achieve this, we apply the principle of optimality to solve any single-stage subgame by breaking it down further into smaller subgames, enabling us to make single-player decisions at a time. Our approach reveals that extensive-form games always exist with solutions to a single-stage subgame, significantly reducing time complexity. Our experimental results show that the algorithms leveraging these findings can scale up to much larger multi-player games without compromising optimality.

In this work, we review research studies that combine Reinforcement Learning (RL) and Large Language Models (LLMs), two areas that owe their momentum to the development of deep neural networks. We propose a novel taxonomy of three main classes based on the way that the two model types interact with each other. The first class, RL4LLM, includes studies where RL is leveraged to improve the performance of LLMs on tasks related to Natural Language Processing. L4LLM is divided into two sub-categories depending on whether RL is used to directly fine-tune an existing LLM or to improve the prompt of the LLM. In the second class, LLM4RL, an LLM assists the training of an RL model that performs a task that is not inherently related to natural language. We further break down LLM4RL based on the component of the RL training framework that the LLM assists or replaces, namely reward shaping, goal generation, and policy function. Finally, in the third class, RL+LLM, an LLM and an RL agent are embedded in a common planning framework without either of them contributing to training or fine-tuning of the other. We further branch this class to distinguish between studies with and without natural language feedback. We use this taxonomy to explore the motivations behind the synergy of LLMs and RL and explain the reasons for its success, while pinpointing potential shortcomings and areas where further research is needed, as well as alternative methodologies that serve the same goal.

In-context learning with Large Language Models (LLMs) has emerged as a promising avenue of research in Dialog State Tracking (DST). However, the best-performing in-context learning methods involve retrieving and adding similar examples to the prompt, requiring access to labeled training data. Procuring such training data for a wide range of domains and applications is time-consuming, expensive, and, at times, infeasible. While zero-shot learning requires no training data, it significantly lags behind the few-shot setup. Thus, `\textit{Can we efficiently generate synthetic data for any dialogue schema to enable few-shot prompting?}' Addressing this question, we propose \method, a data generation framework tailored for DST, utilizing LLMs. Our approach only requires the dialogue schema and a few hand-crafted dialogue templates to synthesize natural, coherent, and free-flowing dialogues with DST annotations. Few-shot learning using data from {\method} results in $4-5%$ improvement in Joint Goal Accuracy over the zero-shot baseline on MultiWOZ 2.1 and 2.4. Remarkably, our few-shot learning approach recovers nearly $98%$ of the performance compared to the few-shot setup using human-annotated training data. Our synthetic data and code can be accessed at https://github.com/apple/ml-synthdst

Text-to-image (T2I) models have emerged as a significant advancement in generative AI; however, there exist safety concerns regarding their potential to produce harmful image outputs even when users input seemingly safe prompts. This phenomenon, where T2I models generate harmful representations that were not explicit in the input, poses a potentially greater risk than adversarial prompts, leaving users unintentionally exposed to harms. Our paper addresses this issue by first introducing a formal definition for this phenomenon, termed harm amplification. We further contribute to the field by developing methodologies to quantify harm amplification in which we consider the harm of the model output in the context of user input. We then empirically examine how to apply these different methodologies to simulate real-world deployment scenarios including a quantification of disparate impacts across genders resulting from harm amplification. Together, our work aims to offer researchers tools to comprehensively address safety challenges in T2I systems and contribute to the responsible deployment of generative AI models.

In online randomized experiments or A/B tests, accurate predictions of participant inclusion rates are of paramount importance. These predictions not only guide experimenters in optimizing the experiment's duration but also enhance the precision of treatment effect estimates. In this paper we present a novel, straightforward, and scalable Bayesian nonparametric approach for predicting the rate at which individuals will be exposed to interventions within the realm of online A/B testing. Our approach stands out by offering dual prediction capabilities: it forecasts both the quantity of new customers expected in future time windows and, unlike available alternative methods, the number of times they will be observed. We derive closed-form expressions for the posterior distributions of the quantities needed to form predictions about future user activity, thereby bypassing the need for numerical algorithms such as Markov chain Monte Carlo. After a comprehensive exposition of our model, we test its performance on experiments on real and simulated data, where we show its superior performance with respect to existing alternatives in the literature.

A novel approach to approximate solutions of Stochastic Differential Equations (SDEs) by Deep Neural Networks is derived and analysed. The architecture is inspired by the notion of Deep Operator Networks (DeepONets), which is based on operator learning in function spaces in terms of a reduced basis also represented in the network. In our setting, we make use of a polynomial chaos expansion (PCE) of stochastic processes and call the corresponding architecture SDEONet. The PCE has been used extensively in the area of uncertainty quantification (UQ) with parametric partial differential equations. This however is not the case with SDE, where classical sampling methods dominate and functional approaches are seen rarely. A main challenge with truncated PCEs occurs due to the drastic growth of the number of components with respect to the maximum polynomial degree and the number of basis elements. The proposed SDEONet architecture aims to alleviate the issue of exponential complexity by learning an optimal sparse truncation of the Wiener chaos expansion. A complete convergence and complexity analysis is presented, making use of recent Neural Network approximation results. Numerical experiments illustrate the promising performance of the suggested approach in 1D and higher dimensions.

This paper addresses the importance of Knowledge Structure (KS) and Knowledge Tracing (KT) in improving the recommendation of educational content in intelligent tutoring systems. The KS represents the relations between different Knowledge Components (KCs), while KT predicts a learner's success based on her past history. The contribution of this research includes proposing a KT model that incorporates the KS as a learnable parameter, enabling the discovery of the underlying KS from learner trajectories. The quality of the uncovered KS is assessed by using it to recommend content and evaluating the recommendation algorithm with simulated students.

In recent years, data selection has emerged as a core issue for large-scale visual-language model pretraining, especially on noisy web-curated datasets. One widely adopted strategy assigns quality scores such as CLIP similarity for each sample and retains the data pairs with the highest scores. However, these approaches are agnostic of data distribution and always fail to select the most informative samples. To solve this problem, we propose a simple yet theoretically principled metric named Variance Alignment Score (VAS), which has the form $\langle \Sigma_{\text{test}}, \Sigma_i\rangle$. Here, $\Sigma_{\text{test}}$ represents the target (cross-)covariance matrix we aim to align, potentially based on prior knowledge, while $\Sigma_i$ denotes the tensor product of single or multi-modal representations for the $i$-th sample. We further design a new data selection method that maximizes the total VAS. We provide theoretical analysis in a simplified setting to demonstrate the theoretical advantage of VAS over random or other existing data selection. Experimentally, applying VAS and CLIP scores together can outperform baselines by a margin of $1.3\%$ average on 38 evaluation sets for noisy dataset DataComp and $2.5\%$ on VTAB for high-quality dataset CC12M. Additionally, our ablation study also shows visual features are better than text for calculating VAS, and the related classical experimental design methods may fail under this context.

Large Language Model (LLM) alignment aims to ensure that LLM outputs match with human values. Researchers have demonstrated the severity of alignment problems with a large spectrum of jailbreak techniques that can induce LLMs to produce malicious content during conversations. Finding the corresponding jailbreaking prompts usually requires substantial human intelligence or computation resources. In this paper, we report that LLMs have different levels of alignment in various contexts. As such, by systematically constructing many contexts, called worlds, leveraging a Domain Specific Language describing possible worlds (e.g., time, location, characters, actions and languages) and the corresponding compiler, we can cost-effectively expose latent alignment issues. Given the low cost of our method, we are able to conduct a large scale study regarding LLM alignment issues in different worlds. Our results show that our method outperforms the-state-of-the-art jailbreaking techniques on both effectiveness and efficiency. In addition, our results indicate that existing LLMs are extremely vulnerable to nesting worlds and programming language worlds. They imply that existing alignment training focuses on the real-world and is lacking in various (virtual) worlds where LLMs can be exploited.

Understanding various humour styles is essential for comprehending the multifaceted nature of humour and its impact on fields such as psychology and artificial intelligence. This understanding has revealed that humour, depending on the style employed, can either have therapeutic or detrimental effects on an individual's health and relationships. Although studies dedicated exclusively to computational-based humour style analysis remain somewhat rare, an expansive body of research thrives within related task, particularly binary humour and sarcasm recognition. In this systematic literature review (SLR), we survey the landscape of computational techniques applied to these related tasks and also uncover their fundamental relevance to humour style analysis. Through this study, we unveil common approaches, illuminate various datasets and evaluation metrics, and effectively navigate the complex terrain of humour research. Our efforts determine potential research gaps and outlined promising directions. Furthermore, the SLR identifies a range of features and computational models that can seamlessly transition from related tasks like binary humour and sarcasm detection to invigorate humour style classification. These features encompass incongruity, sentiment and polarity analysis, ambiguity detection, acoustic nuances, visual cues, contextual insights, and more. The computational models that emerge contain traditional machine learning paradigms, neural network architectures, transformer-based models, and specialised models attuned to the nuances of humour. Finally, the SLR provides access to existing datasets related to humour and sarcasm, facilitating the work of future researchers.

Research in multi-objective reinforcement learning (MORL) has introduced the utility-based paradigm, which makes use of both environmental rewards and a function that defines the utility derived by the user from those rewards. In this paper we extend this paradigm to the context of single-objective reinforcement learning (RL), and outline multiple potential benefits including the ability to perform multi-policy learning across tasks relating to uncertain objectives, risk-aware RL, discounting, and safe RL. We also examine the algorithmic implications of adopting a utility-based approach.

Predicting ATP-Protein Binding sites in genes is of great significance in the field of Biology and Medicine. The majority of research in this field has been conducted through time- and resource-intensive 'wet experiments' in laboratories. Over the years, researchers have been investigating computational methods computational methods to accomplish the same goals, utilising the strength of advanced Deep Learning and NLP algorithms. In this paper, we propose to develop methods to classify ATP-Protein binding sites. We conducted various experiments mainly using PSSMs and several word embeddings as features. We used 2D CNNs and LightGBM classifiers as our chief Deep Learning Algorithms. The MP3Vec and BERT models have also been subjected to testing in our study. The outcomes of our experiments demonstrated improvement over the state-of-the-art benchmarks.

Can we model non-Euclidean graphs as pure language or even Euclidean vectors while retaining their inherent information? The non-Euclidean property have posed a long term challenge in graph modeling. Despite recent GNN and Graphformer efforts encoding graphs as Euclidean vectors, recovering original graph from the vectors remains a challenge. We introduce GraphsGPT, featuring a Graph2Seq encoder that transforms non-Euclidean graphs into learnable graph words in a Euclidean space, along with a GraphGPT decoder that reconstructs the original graph from graph words to ensure information equivalence. We pretrain GraphsGPT on 100M molecules and yield some interesting findings: (1) Pretrained Graph2Seq excels in graph representation learning, achieving state-of-the-art results on 8/9 graph classification and regression tasks. (2) Pretrained GraphGPT serves as a strong graph generator, demonstrated by its ability to perform both unconditional and conditional graph generation. (3) Graph2Seq+GraphGPT enables effective graph mixup in the Euclidean space, overcoming previously known non-Euclidean challenge. (4) Our proposed novel edge-centric GPT pretraining task is effective in graph fields, underscoring its success in both representation and generation.

With the productive evolution of large language models (LLMs) in the field of natural language processing (NLP), tons of effort has been made to effectively fine-tune common pre-trained LLMs to fulfill a variety of tasks in one or multiple specific domain. In practice, there are two prevailing ways, in which the adaptation can be achieved: (i) Multiple Independent Models: Pre-trained LLMs are fine-tuned a few times independently using the corresponding training samples from each task. (ii) An Integrated Model: Samples from all tasks are employed to fine-tune a pre-trianed LLM unitedly. To address the high computing cost and seesawing issue simultaneously, we propose a unified framework that implements a 1 + N mutli-task fine-tuning pattern in LLMs using a novel Customized Gate Control (CGC) Low-rank Adaptation (LoRA) algorithm. Our work aims to take an advantage of both MTL (i.e., CGC) and PEFT (i.e., LoRA) scheme. For a given cluster of tasks, we design an innovative layer that contains two types of experts as additional trainable parameters to make LoRA be compatible with MTL. To comprehensively evaluate the proposed framework, we conduct well-designed experiments on two public datasets. The experimental results demonstrate that the unified framework with CGC-LoRA modules achieves higher evaluation scores than all benchmarks on both two datasets.

Pretrained Language Models (PLMs) have become the de facto starting point for fine-tuning on downstream tasks. However, as model sizes continue to increase, traditional fine-tuning of all parameters becomes challenging. To address this, parameter-efficient fine-tuning (PEFT) methods have gained popularity as a means to adapt PLMs effectively. In parallel, recent studies have revealed the presence of activation sparsity within the intermediate outputs of the multilayer perception (MLP) blocks in transformers. Low activation density enables efficient model inference on sparsity-aware hardware. Building upon this insight, in this work, we propose a novel density loss that encourages higher activation sparsity (equivalently, lower activation density) in the pre-trained models. We demonstrate the effectiveness of our approach by utilizing mainstream PEFT techniques including QLoRA, LoRA, Adapter, Prompt/Prefix Tuning to facilitate efficient model adaptation across diverse downstream tasks. Experiments show that our proposed method DEFT, Density-Efficient Fine-Tuning, can reduce the activation density consistently and up to $\boldsymbol{50.72\%}$ on RoBERTa$_\mathrm{Large}$, and $\boldsymbol {53.19\%}$ (encoder density) and $\boldsymbol{90.60\%}$ (decoder density) on Flan-T5$_\mathrm{XXL}$ ($\boldsymbol{11B}$) compared to PEFT using GLUE and QA (SQuAD) benchmarks respectively while maintaining competitive performance on downstream tasks. We also showcase that DEFT works complementary with quantized and pruned models

Post-training quantization of Large Language Models (LLMs) is challenging. In this work, we introduce Low-rank Quantization Error Reduction (LQER), which combines quantization and low-rank approximation to recover the model capability. LQER leverages an activation-induced scale matrix to drive the singular value distribution of quantization error towards a desirable distribution, which enables nearly-lossless W4A8 quantization on various LLMs and downstream tasks without the need for knowledge distillation, grid search, or gradient-base iterative optimization. Unlike existing methods, the computation pattern of LQER eliminates the need for specialized Scatter and Gather processes to collect high-precision weights from irregular memory locations. Our W4A8 LLMs achieve near-lossless performance on six popular downstream tasks, while using 1.36$\times$ fewer hardware resources than the leading state-of-the-art method. We will open-source our framework once the paper is accepted.

As artificial intelligence and machine learning tools become more accessible, and scientists face new obstacles to data collection (e.g. rising costs, declining survey response rates), researchers increasingly use predictions from pre-trained algorithms as outcome variables. Though appealing for financial and logistical reasons, using standard tools for inference can misrepresent the association between independent variables and the outcome of interest when the true, unobserved outcome is replaced by a predicted value. In this paper, we characterize the statistical challenges inherent to this so-called ``inference with predicted data'' problem and elucidate three potential sources of error: (i) the relationship between predicted outcomes and their true, unobserved counterparts, (ii) robustness of the machine learning model to resampling or uncertainty about the training data, and (iii) appropriately propagating not just bias but also uncertainty from predictions into the ultimate inference procedure.

This work provides empirical evidence that Mamba, a newly proposed selective structured state space model, has similar in-context learning (ICL) capabilities as transformers. We evaluated Mamba on tasks involving simple function approximation as well as more complex natural language processing problems. Our results demonstrate that across both categories of tasks, Mamba matches the performance of transformer models for ICL. Further analysis reveals that like transformers, Mamba appears to solve ICL problems by incrementally optimizing its internal representations. Overall, our work suggests that Mamba can be an efficient alternative to transformers for ICL tasks involving longer input sequences.

Hyperparameter optimization is critical in modern machine learning, requiring expert knowledge, numerous trials, and high computational and human resources. Despite the advancements in Automated Machine Learning (AutoML), challenges in terms of trial efficiency, setup complexity, and interoperability still persist. To address these issues, we introduce a novel paradigm leveraging Large Language Models (LLMs) to automate hyperparameter optimization across diverse machine learning tasks, which is named AgentHPO (short for LLM Agent-based Hyperparameter Optimization). Specifically, AgentHPO processes the task information autonomously, conducts experiments with specific hyperparameters (HPs), and iteratively optimizes them based on historical trials. This human-like optimization process largely reduces the number of required trials, simplifies the setup process, and enhances interpretability and user trust, compared to traditional AutoML methods. Extensive empirical experiments conducted on 12 representative machine-learning tasks indicate that AgentHPO not only matches but also often surpasses the best human trials in terms of performance while simultaneously providing explainable results. Further analysis sheds light on the strategies employed by the LLM in optimizing these tasks, highlighting its effectiveness and adaptability in various scenarios.

In Imitation Learning (IL), utilizing suboptimal and heterogeneous demonstrations presents a substantial challenge due to the varied nature of real-world data. However, standard IL algorithms consider these datasets as homogeneous, thereby inheriting the deficiencies of suboptimal demonstrators. Previous approaches to this issue typically rely on impractical assumptions like high-quality data subsets, confidence rankings, or explicit environmental knowledge. This paper introduces IRLEED, Inverse Reinforcement Learning by Estimating Expertise of Demonstrators, a novel framework that overcomes these hurdles without prior knowledge of demonstrator expertise. IRLEED enhances existing Inverse Reinforcement Learning (IRL) algorithms by combining a general model for demonstrator suboptimality to address reward bias and action variance, with a Maximum Entropy IRL framework to efficiently derive the optimal policy from diverse, suboptimal demonstrations. Experiments in both online and offline IL settings, with simulated and human-generated data, demonstrate IRLEED's adaptability and effectiveness, making it a versatile solution for learning from suboptimal demonstrations.

Large language models (LLMs) and foundation models have been recently touted as a game-changer for 6G systems. However, recent efforts on LLMs for wireless networks are limited to a direct application of existing language models that were designed for natural language processing (NLP) applications. To address this challenge and create wireless-centric foundation models, this paper presents a comprehensive vision on how to design universal foundation models that are tailored towards the deployment of artificial intelligence (AI)-native networks. Diverging from NLP-based foundation models, the proposed framework promotes the design of large multi-modal models (LMMs) fostered by three key capabilities: 1) processing of multi-modal sensing data, 2) grounding of physical symbol representations in real-world wireless systems using causal reasoning and retrieval-augmented generation (RAG), and 3) enabling instructibility from the wireless environment feedback to facilitate dynamic network adaptation thanks to logical and mathematical reasoning facilitated by neuro-symbolic AI. In essence, these properties enable the proposed LMM framework to build universal capabilities that cater to various cross-layer networking tasks and alignment of intents across different domains. Preliminary results from experimental evaluation demonstrate the efficacy of grounding using RAG in LMMs, and showcase the alignment of LMMs with wireless system designs. Furthermore, the enhanced rationale exhibited in the responses to mathematical questions by LMMs, compared to vanilla LLMs, demonstrates the logical and mathematical reasoning capabilities inherent in LMMs. Building on those results, we present a sequel of open questions and challenges for LMMs. We then conclude with a set of recommendations that ignite the path towards LMM-empowered AI-native systems.

Time series forecasting is an important and forefront task in many real-world applications. However, most of time series forecasting techniques assume that the training data is clean without anomalies. This assumption is unrealistic since the collected time series data can be contaminated in practice. The forecasting model will be inferior if it is directly trained by time series with anomalies. Thus it is essential to develop methods to automatically learn a robust forecasting model from the contaminated data. In this paper, we first statistically define three types of anomalies, then theoretically and experimentally analyze the loss robustness and sample robustness when these anomalies exist. Based on our analyses, we propose a simple and efficient algorithm to learn a robust forecasting model. Extensive experiments show that our method is highly robust and outperforms all existing approaches. The code is available at https://github.com/haochenglouis/RobustTSF.

In many Reinforcement Learning (RL) papers, learning curves are useful indicators to measure the effectiveness of RL algorithms. However, the complete raw data of the learning curves are rarely available. As a result, it is usually necessary to reproduce the experiments from scratch, which can be time-consuming and error-prone. We present Open RL Benchmark, a set of fully tracked RL experiments, including not only the usual data such as episodic return, but also all algorithm-specific and system metrics. Open RL Benchmark is community-driven: anyone can download, use, and contribute to the data. At the time of writing, more than 25,000 runs have been tracked, for a cumulative duration of more than 8 years. Open RL Benchmark covers a wide range of RL libraries and reference implementations. Special care is taken to ensure that each experiment is precisely reproducible by providing not only the full parameters, but also the versions of the dependencies used to generate it. In addition, Open RL Benchmark comes with a command-line interface (CLI) for easy fetching and generating figures to present the results. In this document, we include two case studies to demonstrate the usefulness of Open RL Benchmark in practice. To the best of our knowledge, Open RL Benchmark is the first RL benchmark of its kind, and the authors hope that it will improve and facilitate the work of researchers in the field.

Data-driven algorithm design is a paradigm that uses statistical and machine learning techniques to select from a class of algorithms for a computational problem an algorithm that has the best expected performance with respect to some (unknown) distribution on the instances of the problem. We build upon recent work in this line of research by introducing the idea where, instead of selecting a single algorithm that has the best performance, we allow the possibility of selecting an algorithm based on the instance to be solved. In particular, given a representative sample of instances, we learn a neural network that maps an instance of the problem to the most appropriate algorithm {\em for that instance}. We formalize this idea and derive rigorous sample complexity bounds for this learning problem, in the spirit of recent work in data-driven algorithm design. We then apply this approach to the problem of making good decisions in the branch-and-cut framework for mixed-integer optimization (e.g., which cut to add?). In other words, the neural network will take as input a mixed-integer optimization instance and output a decision that will result in a small branch-and-cut tree for that instance. Our computational results provide evidence that our particular way of using neural networks for cut selection can make a significant impact in reducing branch-and-cut tree sizes, compared to previous data-driven approaches.

Understanding the inner workings of neural networks, including transformers, remains one of the most challenging puzzles in machine learning. This study introduces a novel approach by applying the principles of gauge symmetries, a key concept in physics, to neural network architectures. By regarding model functions as physical observables, we find that parametric redundancies of various machine learning models can be interpreted as gauge symmetries. We mathematically formulate the parametric redundancies in neural ODEs, and find that their gauge symmetries are given by spacetime diffeomorphisms, which play a fundamental role in Einstein's theory of gravity. Viewing neural ODEs as a continuum version of feedforward neural networks, we show that the parametric redundancies in feedforward neural networks are indeed lifted to diffeomorphisms in neural ODEs. We further extend our analysis to transformer models, finding natural correspondences with neural ODEs and their gauge symmetries. The concept of gauge symmetries sheds light on the complex behavior of deep learning models through physics and provides us with a unifying perspective for analyzing various machine learning architectures.

Experimentation with interference poses a significant challenge in contemporary online platforms. Prior research on experimentation with interference has concentrated on the final output of a policy. The cumulative performance, while equally crucial, is less well understood. To address this gap, we introduce the problem of {\em Multi-armed Bandits with Interference} (MABI), where the learner assigns an arm to each of $N$ experimental units over a time horizon of $T$ rounds. The reward of each unit in each round depends on the treatments of {\em all} units, where the influence of a unit decays in the spatial distance between units. Furthermore, we employ a general setup wherein the reward functions are chosen by an adversary and may vary arbitrarily across rounds and units. We first show that switchback policies achieve an optimal {\em expected} regret $\tilde O(\sqrt T)$ against the best fixed-arm policy. Nonetheless, the regret (as a random variable) for any switchback policy suffers a high variance, as it does not account for $N$. We propose a cluster randomization policy whose regret (i) is optimal in {\em expectation} and (ii) admits a high probability bound that vanishes in $N$.

Federated Learning (FL) is a privacy-preserving distributed learning approach that is rapidly developing in an era where privacy protection is increasingly valued. It is this rapid development trend, along with the continuous emergence of new demands for FL in the real world, that prompts us to focus on a very important problem: Federated Learning with New Knowledge. The primary challenge here is to effectively incorporate various new knowledge into existing FL systems and evolve these systems to reduce costs, extend their lifespan, and facilitate sustainable development. In this paper, we systematically define the main sources of new knowledge in FL, including new features, tasks, models, and algorithms. For each source, we thoroughly analyze and discuss how to incorporate new knowledge into existing FL systems and examine the impact of the form and timing of new knowledge arrival on the incorporation process. Furthermore, we comprehensively discuss the potential future directions for FL with new knowledge, considering a variety of factors such as scenario setups, efficiency, and security. There is also a continuously updating repository for this topic: https://github.com/conditionWang/FLNK.

We consider the problem of learning support vector machines robust to uncertainty. It has been established in the literature that typical loss functions, including the hinge loss, are sensible to data perturbations and outliers, thus performing poorly in the setting considered. In contrast, using the 0-1 loss or a suitable non-convex approximation results in robust estimators, at the expense of large computational costs. In this paper we use mixed-integer optimization techniques to derive a new loss function that better approximates the 0-1 loss compared with existing alternatives, while preserving the convexity of the learning problem. In our computational results, we show that the proposed estimator is competitive with the standard SVMs with the hinge loss in outlier-free regimes and better in the presence of outliers.

Ensuring safety is critical when applying reinforcement learning (RL) to real-world problems. Consequently, safe RL emerges as a fundamental and powerful paradigm for safely optimizing an agent's policy from experimental data. A popular safe RL approach is based on a constrained criterion, which solves the problem of maximizing expected cumulative reward under safety constraints. Though there has been recently a surge of such attempts to achieve safety in RL, a systematic understanding of the field is difficult due to 1) the diversity of constraint representations and 2) little discussion of their interrelations. To address this knowledge gap, we provide a comprehensive review of representative constraint formulations, along with a curated selection of algorithms specifically designed for each formulation. Furthermore, we elucidate the theoretical underpinnings that reveal the mathematical mutual relations among common problem formulations. We conclude with a discussion of the current state and future directions of safe reinforcement learning research.

Accurate and efficient power flow (PF) analysis is crucial in modern electrical networks' operation and planning. Therefore, there is a need for scalable algorithms that can provide accurate and fast solutions for both small and large scale power networks. As the power network can be interpreted as a graph, Graph Neural Networks (GNNs) have emerged as a promising approach for improving the accuracy and speed of PF approximations by exploiting information sharing via the underlying graph structure. In this study, we introduce PowerFlowNet, a novel GNN architecture for PF approximation that showcases similar performance with the traditional Newton-Raphson method but achieves it 4 times faster in the simple IEEE 14-bus system and 145 times faster in the realistic case of the French high voltage network (6470rte). Meanwhile, it significantly outperforms other traditional approximation methods, such as the DC relaxation method, in terms of performance and execution time; therefore, making PowerFlowNet a highly promising solution for real-world PF analysis. Furthermore, we verify the efficacy of our approach by conducting an in-depth experimental evaluation, thoroughly examining the performance, scalability, interpretability, and architectural dependability of PowerFlowNet. The evaluation provides insights into the behavior and potential applications of GNNs in power system analysis.  ( 3 min )

Unlearnable examples (UEs) refer to training samples modified to be unlearnable to Deep Neural Networks (DNNs). These examples are usually generated by adding error-minimizing noises that can fool a DNN model into believing that there is nothing (no error) to learn from the data. The concept of UE has been proposed as a countermeasure against unauthorized data exploitation on personal data. While UE has been extensively studied on images, it is unclear how to craft effective UEs for time series data. In this work, we introduce the first UE generation method to protect time series data from unauthorized training by deep learning models. To this end, we propose a new form of error-minimizing noise that can be \emph{selectively} applied to specific segments of time series, rendering them unlearnable to DNN models while remaining imperceptible to human observers. Through extensive experiments on a wide range of time series datasets, we demonstrate that the proposed UE generation method is effective in both classification and generation tasks. It can protect time series data against unauthorized exploitation, while preserving their utility for legitimate usage, thereby contributing to the development of secure and trustworthy machine learning systems.

A primary challenge facing modern scientific research is the limited availability of gold-standard data which can be both costly and labor-intensive to obtain. With the rapid development of machine learning (ML), scientists have relied on ML algorithms to predict these gold-standard outcomes with easily obtained covariates. However, these predicted outcomes are often used directly in subsequent statistical analyses, ignoring imprecision and heterogeneity introduced by the prediction procedure. This will likely result in false positive findings and invalid scientific conclusions. In this work, we introduce an assumption-lean and data-adaptive Post-Prediction Inference (POP-Inf) procedure that allows valid and powerful inference based on ML-predicted outcomes. Its "assumption-lean" property guarantees reliable statistical inference without assumptions on the ML-prediction, for a wide range of statistical quantities. Its "data-adaptive'" feature guarantees an efficiency gain over existing post-prediction inference methods, regardless of the accuracy of ML-prediction. We demonstrate the superiority and applicability of our method through simulations and large-scale genomic data.

This paper studies the problem of Anytime-Competitive Markov Decision Process (A-CMDP). Existing works on Constrained Markov Decision Processes (CMDPs) aim to optimize the expected reward while constraining the expected cost over random dynamics, but the cost in a specific episode can still be unsatisfactorily high. In contrast, the goal of A-CMDP is to optimize the expected reward while guaranteeing a bounded cost in each round of any episode against a policy prior. We propose a new algorithm, called Anytime-Competitive Reinforcement Learning (ACRL), which provably guarantees the anytime cost constraints. The regret analysis shows the policy asymptotically matches the optimal reward achievable under the anytime competitive constraints. Experiments on the application of carbon-intelligent computing verify the reward performance and cost constraint guarantee of ACRL.

Traditionally, graph neural networks have been trained using a single observed graph. However, the observed graph represents only one possible realization. In many applications, the graph may encounter uncertainties, such as having erroneous or missing edges, as well as edge weights that provide little informative value. To address these challenges and capture additional information previously absent in the observed graph, we introduce latent variables to parameterize and generate multiple graphs. We obtain the maximum likelihood estimate of the network parameters in an Expectation-Maximization (EM) framework based on the multiple graphs. Specifically, we iteratively determine the distribution of the graphs using a Markov Chain Monte Carlo (MCMC) method, incorporating the principles of PAC-Bayesian theory. Numerical experiments demonstrate improvements in performance against baseline models on node classification for heterogeneous graphs and graph regression on chemistry datasets.

Bayesian deep learning counts on the quality of posterior distribution estimation. However, the posterior of deep neural networks is highly multi-modal in nature, with local modes exhibiting varying generalization performance. Given a practical budget, targeting at the original posterior can lead to suboptimal performance, as some samples may become trapped in "bad" modes and suffer from overfitting. Leveraging the observation that "good" modes with low generalization error often reside in flat basins of the energy landscape, we propose to bias sampling on the posterior toward these flat regions. Specifically, we introduce an auxiliary guiding variable, the stationary distribution of which resembles a smoothed posterior free from sharp modes, to lead the MCMC sampler to flat basins. By integrating this guiding variable with the model parameter, we create a simple joint distribution that enables efficient sampling with minimal computational overhead. We prove the convergence of our method and further show that it converges faster than several existing flatness-aware methods in the strongly convex setting. Empirical results demonstrate that our method can successfully sample from flat basins of the posterior, and outperforms all compared baselines on multiple benchmarks including classification, calibration, and out-of-distribution detection.

Federated Learning (FL), while a breakthrough in decentralized machine learning, contends with significant challenges such as limited data availability and the variability of computational resources, which can stifle the performance and scalability of the models. The integration of Foundation Models (FMs) into FL presents a compelling solution to these issues, with the potential to enhance data richness and reduce computational demands through pre-training and data augmentation. However, this incorporation introduces novel issues in terms of robustness, privacy, and fairness, which have not been sufficiently addressed in the existing research. We make a preliminary investigation into this field by systematically evaluating the implications of FM-FL integration across these dimensions. We analyze the trade-offs involved, uncover the threats and issues introduced by this integration, and propose a set of criteria and strategies for navigating these challenges. Furthermore, we identify potential research directions for advancing this field, laying a foundation for future development in creating reliable, secure, and equitable FL systems.

Large class sizes pose challenges to personalized learning in schools, which educational technologies, especially intelligent tutoring systems (ITS), aim to address. In this context, the ZPDES algorithm, based on the Learning Progress Hypothesis (LPH) and multi-armed bandit machine learning techniques, sequences exercises that maximize learning progress (LP). This algorithm was previously shown in field studies to boost learning performances for a wider diversity of students compared to a hand-designed curriculum. However, its motivational impact was not assessed. Also, ZPDES did not allow students to express choices. This limitation in agency is at odds with the LPH theory concerned with modeling curiosity-driven learning. We here study how the introduction of such choice possibilities impact both learning efficiency and motivation. The given choice concerns dimensions that are orthogonal to exercise difficulty, acting as a playful feature. In an extensive field study (265 7-8 years old children, RCT design), we compare systems based either on ZPDES or a hand-designed curriculum, both with and without self-choice. We first show that ZPDES improves learning performance and produces a positive and motivating learning experience. We then show that the addition of choice triggers intrinsic motivation and reinforces the learning effectiveness of the LP-based personalization. In doing so, it strengthens the links between intrinsic motivation and performance progress during the serious game. Conversely, deleterious effects of the playful feature are observed for hand-designed linear paths. Thus, the intrinsic motivation elicited by a playful feature is beneficial only if the curriculum personalization is effective for the learner. Such a result deserves great attention due to increased use of playful features in non adaptive educational technologies.

In one-shot federated learning (FL), clients collaboratively train a global model in a single round of communication. Existing approaches for one-shot FL enhance communication efficiency at the expense of diminished accuracy. This paper introduces FedPFT (Federated Learning with Parametric Feature Transfer), a methodology that harnesses the transferability of foundation models to enhance both accuracy and communication efficiency in one-shot FL. The approach involves transferring per-client parametric models (specifically, Gaussian mixtures) of features extracted from foundation models. Subsequently, each parametric model is employed to generate synthetic features for training a classifier head. Experimental results on eight datasets demonstrate that FedPFT enhances the communication-accuracy frontier in both centralized and decentralized FL scenarios, as well as across diverse data-heterogeneity settings such as covariate shift and task shift, with improvements of up to 20.6%. Additionally, FedPFT adheres to the data minimization principle of FL, as clients do not send real features. We demonstrate that sending real features is vulnerable to potent reconstruction attacks. Moreover, we show that FedPFT is amenable to formal privacy guarantees via differential privacy, demonstrating favourable privacy-accuracy tradeoffs.

A vast number of systems across the world use algorithmic decision making (ADM) to (partially) automate decisions that have previously been made by humans. The downstream effects of ADM systems critically depend on the decisions made during a systems' design, implementation, and evaluation, as biases in data can be mitigated or reinforced along the modeling pipeline. Many of these decisions are made implicitly, without knowing exactly how they will influence the final system. To study this issue, we draw on insights from the field of psychology and introduce the method of multiverse analysis for algorithmic fairness. In our proposed method, we turn implicit decisions during design and evaluation into explicit ones and demonstrate their fairness implications. By combining decisions, we create a grid of all possible "universes" of decision combinations. For each of these universes, we compute metrics of fairness and performance. Using the resulting dataset, one can investigate the variability and robustness of fairness scores and see how and which decisions impact fairness. We demonstrate how multiverse analyses can be used to better understand fairness implications of design and evaluation decisions using an exemplary case study of predicting public health care coverage for vulnerable populations. Our results highlight how decisions regarding the evaluation of a system can lead to vastly different fairness metrics for the same model. This is problematic, as a nefarious actor could optimise or "hack" a fairness metric to portray a discriminating model as fair merely by changing how it is evaluated. We illustrate how a multiverse analysis can help to address this issue.

Federated learning (FL) is increasingly recognized for its efficacy in training models using locally distributed data. However, the proper valuation of shared data in this collaborative process remains insufficiently addressed. In this work, we frame FL as a marketplace of models, where clients act as both buyers and sellers, engaging in model trading. This FL market allows clients to gain monetary reward by selling their own models and improve local model performance through the purchase of others' models. We propose an auction-based solution to ensure proper pricing based on performance gain. Incentive mechanisms are designed to encourage clients to truthfully reveal their model valuations. Furthermore, we introduce a reinforcement learning (RL) framework for marketing operations, aiming to achieve maximum trading volumes under the dynamic and evolving market status. Experimental results on four datasets demonstrate that the proposed FL market can achieve high trading revenue and fair downstream task accuracy.

Dimensionality reduction methods, such as principal component analysis (PCA) and factor analysis, are central to many problems in data science. There are, however, serious and well-understood challenges to finding robust low dimensional approximations for data with significant heteroskedastic noise. This paper introduces a relaxed version of Minimum Trace Factor Analysis (MTFA), a convex optimization method with roots dating back to the work of Ledermann in 1940. This relaxation is particularly effective at not overfitting to heteroskedastic perturbations and addresses the commonly cited Heywood cases in factor analysis and the recently identified "curse of ill-conditioning" for existing spectral methods. We provide theoretical guarantees on the accuracy of the resulting low rank subspace and the convergence rate of the proposed algorithm to compute that matrix. We develop a number of interesting connections to existing methods, including HeteroPCA, Lasso, and Soft-Impute, to fill an important gap in the already large literature on low rank matrix estimation. Numerical experiments benchmark our results against several recent proposals for dealing with heteroskedastic noise.

It is well known that LLMs cannot generalize well to long contexts whose lengths are larger than the training sequence length. This poses challenges when employing LLMs for processing long input sequences during inference. In this work, we argue that LLMs themselves have inherent capabilities to handle long contexts without fine-tuning. To achieve this goal, we propose SelfExtend to extend the context window of LLMs by constructing bi-level attention information: the grouped attention and the neighbor attention. The grouped attention captures the dependencies among tokens that are far apart, while neighbor attention captures dependencies among adjacent tokens within a specified range. The two-level attentions are computed based on the original model's self-attention mechanism during inference. With minor code modification, our SelfExtend can effortlessly extend existing LLMs' context window without any fine-tuning. We conduct comprehensive experiments on multiple benchmarks and the results show that our SelfExtend can effectively extend existing LLMs' context window length. The code can be found at \url{https://github.com/datamllab/LongLM}.

Data augmentation (DA) has gained widespread popularity in deep speaker models due to its ease of implementation and significant effectiveness. It enriches training data by simulating real-life acoustic variations, enabling deep neural networks to learn speaker-related representations while disregarding irrelevant acoustic variations, thereby improving robustness and generalization. However, a potential issue with the vanilla DA is augmentation residual, i.e., unwanted distortion caused by different types of augmentation. To address this problem, this paper proposes a novel approach called adversarial data augmentation (A-DA) which combines DA with adversarial learning. Specifically, it involves an additional augmentation classifier to categorize various augmentation types used in data augmentation. This adversarial learning empowers the network to generate speaker embeddings that can deceive the augmentation classifier, making the learned speaker embeddings more robust in the face of augmentation variations. Experiments conducted on VoxCeleb and CN-Celeb datasets demonstrate that our proposed A-DA outperforms standard DA in both augmentation matched and mismatched test conditions, showcasing its superior robustness and generalization against acoustic variations.

Fingerprinting arguments, first introduced by Bun, Ullman, and Vadhan (STOC 2014), are the most widely used method for establishing lower bounds on the sample complexity or error of approximately differentially private (DP) algorithms. Still, there are many problems in differential privacy for which we don't know suitable lower bounds, and even for problems that we do, the lower bounds are not smooth, and usually become vacuous when the error is larger than some threshold. In this work, we present a new framework and tools to generate smooth lower bounds on the sample complexity of differentially private algorithms satisfying very weak accuracy. We illustrate the applicability of our method by providing new lower bounds in various settings: 1. A tight lower bound for DP averaging in the low-accuracy regime, which in particular implies a lower bound for the private 1-cluster problem introduced by Nissim, Stemmer, and Vadhan (PODS 2016). 2. A lower bound on the additive error of DP algorithms for approximate k-means clustering, as a function of the multiplicative error, which is tight for a constant multiplication error. 3. A lower bound for estimating the top singular vector of a matrix under DP in low-accuracy regimes, which is a special case of DP subspace estimation studied by Singhal and Steinke (NeurIPS 2021). Our main technique is to apply a padding-and-permuting transformation to a fingerprinting code. However, rather than proving our results using a black-box access to an existing fingerprinting code (e.g., Tardos' code), we develop a new fingerprinting lemma that is stronger than those of Dwork et al. (FOCS 2015) and Bun et al. (SODA 2017), and prove our lower bounds directly from the lemma. Our lemma, in particular, gives a simpler fingerprinting code construction with optimal rate (up to polylogarithmic factors) that is of independent interest.

We obtain the first positive results for bounded sample compression in the agnostic regression setting with the $\ell_p$ loss, where $p\in [1,\infty]$. We construct a generic approximate sample compression scheme for real-valued function classes exhibiting exponential size in the fat-shattering dimension but independent of the sample size. Notably, for linear regression, an approximate compression of size linear in the dimension is constructed. Moreover, for $\ell_1$ and $\ell_\infty$ losses, we can even exhibit an efficient exact sample compression scheme of size linear in the dimension. We further show that for every other $\ell_p$ loss, $p\in (1,\infty)$, there does not exist an exact agnostic compression scheme of bounded size. This refines and generalizes a negative result of David, Moran, and Yehudayoff for the $\ell_2$ loss. We close by posing general open questions: for agnostic regression with $\ell_1$ loss, does every function class admits an exact compression scheme of size equal to its pseudo-dimension? For the $\ell_2$ loss, does every function class admit an approximate compression scheme of polynomial size in the fat-shattering dimension? These questions generalize Warmuth's classic sample compression conjecture for realizable-case classification.

A modern deep neural network (DNN) for image classification tasks typically consists of two parts: a backbone for feature extraction, and a head for feature encoding and class predication. We observe that the head structures of mainstream DNNs adopt a similar feature encoding pipeline, exploiting global feature dependencies while disregarding local ones. In this paper, we revisit the feature encoding problem, and propose Non-glObal Attentive Head (NOAH) that relies on a new form of dot-product attention called pairwise object category attention (POCA), efficiently exploiting spatially dense category-specific attentions to augment classification performance. NOAH introduces a neat combination of feature split, transform and merge operations to learn POCAs at local to global scales. As a drop-in design, NOAH can be easily used to replace existing heads of various types of DNNs, improving classification performance while maintaining similar model efficiency. We validate the effectiveness of NOAH on ImageNet classification benchmark with 25 DNN architectures spanning convolutional neural networks, vision transformers and multi-layer perceptrons. In general, NOAH is able to significantly improve the performance of lightweight DNNs, e.g., showing 3.14\%|5.3\%|1.9\% top-1 accuracy improvement to MobileNetV2 (0.5x)|Deit-Tiny (0.5x)|gMLP-Tiny (0.5x). NOAH also generalizes well when applied to medium-size and large-size DNNs. We further show that NOAH retains its efficacy on other popular multi-class and multi-label image classification benchmarks as well as in different training regimes, e.g., showing 3.6\%|1.1\% mAP improvement to large ResNet101|ViT-Large on MS-COCO dataset. Project page: https://github.com/OSVAI/NOAH.

Deep Neural Networks (DNNs) became the standard tool for function approximation with most of the introduced architectures being developed for high-dimensional input data. However, many real-world problems have low-dimensional inputs for which standard Multi-Layer Perceptrons (MLPs) are the default choice. An investigation into specialized architectures is missing. We propose a novel DNN layer called Univariate Radial Basis Function (U-RBF) layer as an alternative. Similar to sensory neurons in the brain, the U-RBF layer processes each individual input dimension with a population of neurons whose activations depend on different preferred input values. We verify its effectiveness compared to MLPs in low-dimensional function regressions and reinforcement learning tasks. The results show that the U-RBF is especially advantageous when the target function becomes complex and difficult to approximate.

Credit scoring has been catalogued by the European Commission and the Executive Office of the US President as a high-risk classification task, a key concern being the potential harms of making loan approval decisions based on models that would be biased against certain groups. To address this concern, recent credit scoring research has considered a range of fairness-enhancing techniques put forward by the machine learning community to reduce bias and unfair treatment in classification systems. While the definition of fairness or the approach they follow to impose it may vary, most of these techniques, however, disregard the robustness of the results. This can create situations where unfair treatment is effectively corrected in the training set, but when producing out-of-sample classifications, unfair treatment is incurred again. Instead, in this paper, we will investigate how to apply Distributionally Robust Optimisation (DRO) methods to credit scoring, thereby empirically evaluating how they perform in terms of fairness, ability to classify correctly, and the robustness of the solution against changes in the marginal proportions. In so doing, we find DRO methods to provide a substantial improvement in terms of fairness, with almost no loss in performance. These results thus indicate that DRO can improve fairness in credit scoring, provided that further advances are made in efficiently implementing these systems. In addition, our analysis suggests that many of the commonly used fairness metrics are unsuitable for a credit scoring setting, as they depend on the choice of classification threshold.

Querying complex models for precise information (e.g. traffic models, database systems, large ML models) often entails intense computations and results in long response times. Thus, weaker models which give imprecise results quickly can be advantageous, provided inaccuracies can be resolved using few queries to a stronger model. In the fundamental problem of computing a maximum-weight basis of a matroid, a well-known generalization of many combinatorial optimization problems, algorithms have access to a clean oracle to query matroid information. We additionally equip algorithms with a fast but dirty oracle modelling an unknown, potentially different matroid. We design and analyze practical algorithms which only use few clean queries w.r.t. the quality of the dirty oracle, while maintaining robustness against arbitrarily poor dirty matroids, approaching the performance of classic algorithms for the given problem. Notably, we prove that our algorithms are, in many respects, best-possible. Further, we outline extensions to other matroid oracle types, non-free dirty oracles and other matroid problems.

The expected loss is an upper bound to the model generalization error which admits robust PAC-Bayes bounds for learning. However, loss minimization is known to ignore misspecification, where models cannot exactly reproduce observations. This leads to significant underestimates of parameter uncertainties in the large data, or underparameterized, limit. We analyze the generalization error of near-deterministic, misspecified and underparametrized surrogate models, a regime of broad relevance in science and engineering. We show posterior distributions must cover every training point to avoid a divergent generalization error and derive an ensemble {ansatz} that respects this constraint, which for linear models incurs minimal overhead. The efficient approach is demonstrated on model problems before application to high dimensional datasets in atomistic machine learning. Parameter uncertainties from misspecification survive in the underparametrized limit, giving accurate prediction and bounding of test errors.

Existing large language models (LLMs) evaluation methods typically focus on testing the performance on some closed-environment and domain-specific benchmarks with human annotations. In this paper, we explore a novel unsupervised evaluation direction, utilizing peer-review mechanisms to measure LLMs automatically. In this setting, both open-source and closed-source LLMs lie in the same environment, capable of answering unlabeled questions and evaluating each other, where each LLM's response score is jointly determined by other anonymous ones. To obtain the ability hierarchy among these models, we assign each LLM a learnable capability parameter to adjust the final ranking. We formalize it as a constrained optimization problem, intending to maximize the consistency of each LLM's capabilities and scores. The key assumption behind is that high-level LLM can evaluate others' answers more accurately than low-level ones, while higher-level LLM can also achieve higher response scores. Moreover, we propose three metrics called PEN, CIN, and LIS to evaluate the gap in aligning human rankings. We perform experiments on multiple datasets with these metrics, validating the effectiveness of the proposed approach.

Parallel Reinforcement Learning (RL) frameworks are essential for mapping RL workloads to multiple computational resources, allowing for faster generation of samples, estimation of values, and policy improvement. These computational paradigms require a seamless integration of training, serving, and simulation workloads. Existing frameworks, such as Ray, are not managing this orchestration efficiently, especially in RL tasks that demand intensive input/output and synchronization between actors on a single node. In this study, we have proposed a solution implementing the reactor model, which enforces a set of actors to have a fixed communication pattern. This allows the scheduler to eliminate work needed for synchronization, such as acquiring and releasing locks for each actor or sending and processing coordination-related messages. Our framework, Lingua Franca (LF), a coordination language based on the reactor model, also supports true parallelism in Python and provides a unified interface that allows users to automatically generate dataflow graphs for RL tasks. In comparison to Ray on a single-node multi-core compute platform, LF achieves 1.21x and 11.62x higher simulation throughput in OpenAI Gym and Atari environments, reduces the average training time of synchronized parallel Q-learning by 31.2%, and accelerates multi-agent RL inference by 5.12x.

In recent years, both online and offline deep learning models have been developed for time series forecasting. However, offline deep forecasting models fail to adapt effectively to changes in time-series data, while online deep forecasting models are often expensive and have complex training procedures. In this paper, we reframe the online nonlinear time-series forecasting problem as one of linear hyperdimensional time-series forecasting. Nonlinear low-dimensional time-series data is mapped to high-dimensional (hyperdimensional) spaces for linear hyperdimensional prediction, allowing fast, efficient and lightweight online time-series forecasting. Our framework, TSF-HD, adapts to time-series distribution shifts using a novel co-training framework for its hyperdimensional mapping and its linear hyperdimensional predictor. TSF-HD is shown to outperform the state of the art, while having reduced inference latency, for both short-term and long-term time series forecasting. Our code is publicly available at http://github.com/tsfhd2024/tsf-hd.git

Gradient inversion attacks aim to reconstruct local training data from intermediate gradients exposed in the federated learning framework. Despite successful attacks, all previous methods, starting from reconstructing a single data point and then relaxing the single-image limit to batch level, are only tested under hard label constraints. Even for single-image reconstruction, we still lack an analysis-based algorithm to recover augmented soft labels. In this work, we change the focus from enlarging batchsize to investigating the hard label constraints, considering a more realistic circumstance where label smoothing and mixup techniques are used in the training process. In particular, we are the first to initiate a novel algorithm to simultaneously recover the ground-truth augmented label and the input feature of the last fully-connected layer from single-input gradients, and provide a necessary condition for any analytical-based label recovery methods. Extensive experiments testify to the label recovery accuracy, as well as the benefits to the following image reconstruction. We believe soft labels in classification tasks are worth further attention in gradient inversion attacks.

The association of a given human phenotype to a genetic variant remains a critical challenge for biology. We present a novel system called PhenoLinker capable of associating a score to a phenotype-gene relationship by using heterogeneous information networks and a convolutional neural network-based model for graphs, which can provide an explanation for the predictions. This system can aid in the discovery of new associations and in the understanding of the consequences of human genetic variation.